HMDB	Formula	Mass	InchiKey	Inchi	SMILES	HMDB Name
HMDB03361	C4H4N2	80.03744814	CZPWVGJYEJSRLH-UHFFFAOYSA-N	1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H	C1=CN=CN=C1	Pyrimidine
HMDB00228	C6H6O	94.04186481	ISWSIDIOOBJBQZ-UHFFFAOYSA-N	1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H	OC1=CC=CC=C1	Phenol
HMDB33871	C7H9N	107.0734993	WGQKYBSKWIADBV-UHFFFAOYSA-N	1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2	NCC1=CC=CC=C1	Benzylamine
HMDB00128	C3H7N3O2	117.0538265	BPMFZUMJYQTVII-UHFFFAOYSA-N	1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)	NC(=N)NCC(O)=O	Guanidoacetic acid
HMDB02994	C4H10O4	122.0579088	UNXHWFMMPAWVPI-ZXZARUISSA-N	1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+	OC[C@H](O)[C@H](O)CO	Erythritol
HMDB00491	C6H10O3	130.0629942	JVQYSWDUAOAHFM-UHFFFAOYSA-N	1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)	CCC(C)C(=O)C(O)=O	3-Methyl-2-oxovaleric acid
HMDB00168	C4H8N2O3	132.0534921	DCXYFEDJOCDNAF-REOHCLBHSA-N	1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1	N[C@@H](CC(N)=O)C(O)=O	L-Asparagine
HMDB01494	C2H5O5P	139.9874598	LIPOUNRJVLNBCD-UHFFFAOYSA-N	1S/C2H5O5P/c1-2(3)7-8(4,5)6/h1H3,(H2,4,5,6)	CC(=O)OP(O)(O)=O	Acetylphosphate
HMDB02050	C4H4O6	148.0007879	KAPRQAPANAEVOD-UHFFFAOYSA-N	1S/C4H4O6/c5-1(3(7)8)2(6)4(9)10/h5,7-8H,(H,9,10)	OC(O)=C(O)C(=O)C(O)=O	Dihydroxyfumaric acid
HMDB00073	C8H11NO2	153.0789786	VYFYYTLLBUKUHU-UHFFFAOYSA-N	1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2	NCCC1=CC=C(O)C(O)=C1	Dopamine
HMDB00802	C6H5N5O	163.0494098	HNXQXTQTPAJEJL-UHFFFAOYSA-N	1S/C6H5N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1-2H,(H3,7,9,10,11,12)	NC1=NC2=NC=CN=C2C(=O)N1	Pterin
HMDB00001	C7H11N3O2	169.0851266	BRMWTNUJHUMWMS-LURJTMIESA-N	1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1	CN1C=NC(C[C@H](N)C(O)=O)=C1	1-Methylhistidine
HMDB00904	C6H13N3O3	175.0956913	RHGKLRLOHDJJDR-BYPYZUCNSA-N	1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1	N[C@@H](CCCNC(N)=O)C(O)=O	Citrulline
HMDB03345	C6H12O6	180.0633881	WQZGKKKJIJFFOK-DVKNGEFBSA-N	1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1	OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O	Alpha-D-Glucose
HMDB00784	C9H16O4	188.104859	BDJRBEYXGGNYIS-UHFFFAOYSA-N	1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)	OC(=O)CCCCCCCC(O)=O	Azelaic acid
HMDB00291	C9H10O5	198.0528234	CGQCWMIAEPEHNQ-QMMMGPOBSA-N	1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)/t8-/m0/s1	COC1=C(O)C=CC(=C1)[C@H](O)C(O)=O	Vanillylmandelic acid
HMDB01238	C12H14N2O2	218.1055277	MVAWJSIDNICKHF-UHFFFAOYSA-N	1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)	CC(=O)NCCC1=CNC2=C1C=C(O)C=C2	N-Acetylserotonin
HMDB00089	C9H13N3O5	243.0855205	UHDGCWIWMRVCDJ-XVFCMESISA-N	1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1	NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	Cytidine
HMDB00050	C10H13N5O4	267.0967539	OIRDTQYFTABQOQ-KQYNXXCUSA-N	1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	Adenosine
HMDB00269	C18H39NO2	301.2980795	OTKJDMGTUTTYMP-ZWKOTPCHSA-N	1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18+/m0/s1	CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO	Sphinganine
HMDB02068	C22H42O2	338.3184806	DPUOLQHDNGRHBS-KTKRTIGZSA-N	1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9-	CCCCCCCC\C=C/CCCCCCCCCCCC(O)=O	Erucic acid
HMDB00244	C17H20N4O6	376.1382844	AUNGANRZJHBGPY-SCRDCRAPSA-N	1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1	CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1	Riboflavin
HMDB00061	C10H15N5O10P2	427.0294147	WHTCPDAXWFLDIH-KQYNXXCUSA-N	1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O	Adenosine 3',5'-diphosphate
HMDB01532	C10H16N5O12P3	491.0008305	SUYVUBYJARFZHO-RRKCRQDMSA-N	1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1	NC1=NC=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1	Deoxyadenosine triphosphate
HMDB03351	C16H25N5O16P2	605.0771528	MVMSCBBUIHUTGJ-LRJDVEEWSA-N	1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5-,7-,8-,9+,10-,11-,14-,15-/m1/s1	NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O	GDP-glucose
HMDB31407	C5H8O	84.05751488	BGTOWKSIORTVQH-UHFFFAOYSA-N	1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2	O=C1CCCC1	Cyclopentanone
HMDB13751	C5H5NO	95.03711379	UBQKCCHYAOITMY-UHFFFAOYSA-N	1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)	OC1=CC=CC=N1	2-Hydroxypyridine
HMDB03119	C7H8O	108.0575149	WVDDGKGOMKODPV-UHFFFAOYSA-N	1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2	OCC1=CC=CC=C1	Benzyl alcohol
HMDB00738	C8H7N	117.0578492	SIKJAQJRHWYJAI-UHFFFAOYSA-N	1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H	N1C=CC2=C1C=CC=C2	Indole
HMDB32619	C8H10O	122.0731649	WAPNOHKVXSQRPX-UHFFFAOYNA-N	1/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3	CC(O)C1=CC=CC=C1	1-Phenylethanol
HMDB00695	C6H10O3	130.0629942	BKAJNAXTPSGJCU-UHFFFAOYSA-N	1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)	CC(C)CC(=O)C(O)=O	Ketoleucine
HMDB03441	C9H8O	132.0575149	KJPRLNWUNMBNBZ-QPJJXVBHSA-N	1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+	O=C\C=C\C1=CC=CC=C1	Cinnamaldehyde
HMDB01096	CH4NO5P	140.9827088	FFQKYPRQEYGKAF-UHFFFAOYSA-N	1S/CH4NO5P/c2-1(3)7-8(4,5)6/h(H2,2,3)(H2,4,5,6)	NC(=O)OP(O)(O)=O	Carbamoyl phosphate
HMDB00426	C5H8O5	148.0371734	XFTRTWQBIOMVPK-UHFFFAOYSA-N	1S/C5H8O5/c1-5(10,4(8)9)2-3(6)7/h10H,2H2,1H3,(H,6,7)(H,8,9)	CC(O)(CC(O)=O)C(O)=O	Citramalic acid
HMDB04825	C8H11NO2	153.0789786	QHGUCRYDKWKLMG-QMMMGPOBSA-N	1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/t8-/m0/s1	NC[C@H](O)C1=CC=C(O)C=C1	p-Octopamine
HMDB00205	C9H8O3	164.0473441	BTNMPGBKDVTSJY-UHFFFAOYSA-N	1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)	OC(=O)C(=O)CC1=CC=CC=C1	Phenylpyruvic acid
HMDB01473	C3H7O6P	169.9980245	GNGACRATGGDKBX-UHFFFAOYSA-N	1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8)	OCC(=O)COP(O)(O)=O	Dihydroxyacetone phosphate
HMDB00044	C6H8O6	176.032088	CIWBSHSKHKDKBQ-JLAZNSOCSA-N	1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1	[H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO	Ascorbic acid
HMDB03418	C6H12O6	180.0633881	BJHIKXHVCXFQLS-PQLUHFTBSA-N	1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6-/m1/s1	OC[C@@H](O)[C@H](O)[C@H](O)C(=O)CO	D-Tagatose
HMDB00446	C8H16N2O3	188.1160924	VEYYWZRYIYDQJM-UHFFFAOYSA-N	1S/C8H16N2O3/c1-6(11)10-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)	CC(=O)NC(CCCCN)C(O)=O	N-Alpha-acetyllysine
HMDB00638	C12H24O2	200.17763	POULHZVOKOAJMA-UHFFFAOYSA-N	1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)	CCCCCCCCCCCC(O)=O	Dodecanoic acid
YMDB00917	C8H13NO6	219.0742872	GNISQJGXJIDKDJ-YFKPBYRVSA-N	1S/C8H13NO6/c9-5(8(13)14)3-4-15-7(12)2-1-6(10)11/h5H,1-4,9H2,(H,10,11)(H,13,14)/t5-/m0/s1	0	0
HMDB00296	C9H12N2O6	244.0695361	DRTQHJPVMGBUCF-XVFCMESISA-N	1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O	Uridine
HMDB00085	C10H13N5O4	267.0967539	YKBGVTZYEHREMT-KVQBGUIXSA-N	1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1	NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N1	Deoxyguanosine
HMDB11691	C9H12N3O7P	305.0412863	NMPZCCZXCOMSDQ-ZRTZXPPTSA-N	1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-7-6(4(3-13)17-8)18-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8?/m1/s1	NC1=NC(=O)N(C=C1)C1O[C@H](CO)[C@H]2OP(O)(=O)O[C@@H]12	Cytidine 2',3'-cyclic phosphate
HMDB01058	C6H14O12P2	339.9960489	RNBGYGVWRKECFJ-ZXXMMSQZSA-N	1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6+/m1/s1	O[C@H]1[C@H](O)[C@](O)(COP(O)(O)=O)O[C@@H]1COP(O)(O)=O	Fructose 1,6-bisphosphate
HMDB00761	C24H40O3	376.2977451	SMEROWZSTRWXGI-YPLGJCPNSA-N	1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16?,17-,18+,19-,20+,21+,23+,24-/m1/s1	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2C[C@H](O)CC[C@]12C	Lithocholic acid
HMDB00960	C10H15N5O10P2	427.0294147	CIKGWCTVFSRMJU-KVQBGUIXSA-N	1S/C10H15N5O10P2/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(24-6)2-23-27(21,22)25-26(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1	NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O2)C(=O)N1	dGDP
HMDB03213	C18H32O16	504.169035	MUPFEKGTMRGPLJ-BQCSWRFHSA-N	1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16?,17?,18+/m1/s1	OC[C@H]1O[C@@](CO)(OC2O[C@H](COC3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	Raffinose
HMDB00290	C17H27N3O17P2	607.0815695	LFTYTUAZOPRMMI-CFRASDGPSA-N	1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11-,12-,13-,14-,15-,16-/m1/s1	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O	Uridine diphosphate-N-acetylglucosamine
HMDB03407	C4H6O2	86.03677944	QSJXEFYPDANLFS-UHFFFAOYSA-N	1S/C4H6O2/c1-3(5)4(2)6/h1-2H3	CC(=O)C(C)=O	Diacetyl
HMDB36458	C4H7NO2	101.0476785	PAJPWUMXBYXFCZ-UHFFFAOYSA-N	1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7)	NC1(CC1)C(O)=O	1-Aminocyclopropanecarboxylic acid
HMDB35289	C6H8N2	108.0687483	LCZUOKDVTBMCMX-UHFFFAOYSA-N	1S/C6H8N2/c1-5-3-8-6(2)4-7-5/h3-4H,1-2H3	CC1=CN=C(C)C=N1	2,5-Dimethylpyrazine
HMDB00043	C5H11NO2	117.0789786	KWIUHFFTVRNATP-UHFFFAOYSA-N	1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3	C[N+](C)(C)CC([O-])=O	Betaine
HMDB01488	C6H5NO2	123.0320284	PVNIIMVLHYAWGP-UHFFFAOYSA-N	1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)	OC(=O)C1=CN=CC=C1	Nicotinic acid
HMDB06024	C6H10O3	130.0629942	JYVXNLLUYHCIIH-LURJTMIESA-N	1S/C6H10O3/c1-6(8)2-3-9-5(7)4-6/h8H,2-4H2,1H3/t6-/m0/s1	C[C@]1(O)CCOC(=O)C1	Mevalonolactone
HMDB00214	C5H12N2O2	132.0898776	AHLPHDHHMVZTML-BYPYZUCNSA-N	1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1	NCCC[C@H](N)C(O)=O	Ornithine
HMDB00224	C2H8NO4P	141.0190943	SUHOOTKUPISOBE-UHFFFAOYSA-N	1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)	NCCOP(O)(O)=O	O-Phosphoethanolamine
HMDB00930	C9H8O2	148.0524295	WBYWAXJHAXSJNI-VOTSOKGWSA-N	1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+	OC(=O)\C=C\C1=CC=CC=C1	trans-Cinnamic acid
HMDB00152	C7H6O4	154.0266087	WXTMDXOMEHJXQO-UHFFFAOYSA-N	1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)	OC(=O)C1=CC(O)=CC=C1O	Gentisic acid
HMDB02035	C9H8O3	164.0473441	NGSWKAQJJWESNS-ZZXKWVIFSA-N	1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+	OC(=O)\C=C\C1=CC=C(O)C=C1	4-Hydroxycinnamic acid
HMDB00318	C8H10O4	170.0579088	MTVWFVDWRVYDOR-UHFFFAOYSA-N	1S/C8H10O4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8-12H,4H2	OCC(O)C1=CC(O)=C(O)C=C1	3,4-Dihydroxyphenylglycol
HMDB06355	C6H8O6	176.032088	OGLCQHRZUSEXNB-WHDMSYDLSA-N	1S/C6H8O6/c7-1-3-4(12-5(1)9)2(8)6(10)11-3/h1-5,7-9H/t1-,2-,3-,4-,5-/m1/s1	O[C@@H]1O[C@@H]2[C@@H](O)C(=O)O[C@@H]2[C@H]1O	D-Glucurono-6,3-lactone
HMDB01860	C7H8N4O2	180.0647255	QUNWUDVFRNGTCO-UHFFFAOYSA-N	1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)	CN1C=NC2=C1C(=O)N(C)C(=O)N2	Paraxanthine
HMDB01325	C9H20N2O2	188.1524779	MXNRLFUSFKVQSK-QMMMGPOBSA-N	1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/t8-/m0/s1	C[N+](C)(C)CCCC[C@H](N)C([O-])=O	N6,N6,N6-Trimethyl-L-lysine
HMDB32306	C9H14O5	202.0841236	OQOCQBJWOCRPQY-UHFFFAOYNA-N	1/C9H14O5/c1-4-13-8(11)6(3)7(10)9(12)14-5-2/h6H,4-5H2,1-3H3	CCOC(=O)C(C)C(=O)C(=O)OCC	4-Heptenal diethyl acetal
HMDB00210	C9H17NO5	219.1106727	GHOKWGTUZJEAQD-UHFFFAOYSA-N	1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)	CC(C)(CO)C(O)C(=O)NCCC(O)=O	Pantothenic acid
HMDB00030	C10H16N2O3S	244.0881631	YBJHBAHKTGYVGT-ZKWXMUAHSA-N	1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1	[H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2	Biotin
HMDB00575	C8H16N2O4S2	268.0551484	ZTVZLYBCZNMWCF-UHFFFAOYSA-N	1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)	NC(CCSSCCC(N)C(O)=O)C(O)=O	DL-Homocystine
HMDB01202	C9H14N3O7P	307.0569363	NCMVOABPESMRCP-SHYZEUOFSA-N	1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1	NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1	dCMP
HMDB00055	C12H22O11	342.1162115	GUBGYTABKSRVRQ-QRZGKKJRSA-N	1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1	OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O	Cellobiose
HMDB00961	C15H28O7P2	382.1310263	VWFJDQUYCIWHTN-YFVJMOTDSA-N	1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+	CC(C)=CCC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O	Farnesyl pyrophosphate
HMDB01341	C10H15N5O10P2	427.0294147	XTWYTFMLZFPYCI-KQYNXXCUSA-N	1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O	ADP
HMDB00538	C10H16N5O13P3	506.9957452	ZKHQWZAMYRWXGA-KQYNXXCUSA-N	1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O	Adenosine triphosphate
HMDB00304	C17H27N3O17P2	607.0815695	LFTYTUAZOPRMMI-UHFFFAOYSA-N	1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)	CC(=O)NC1C(O)C(O)C(CO)OC1OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1O)N1C=CC(=O)NC1=O	Uridine diphosphate-N-acetylgalactosamine
HMDB06478	C5H10O	86.07316494	YGHRJJRRZDOVPD-UHFFFAOYSA-N	1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3	CC(C)CC=O	Iso-Valeraldehyde
HMDB00005	C4H6O3	102.0316941	TYEYBOSBBBHJIV-UHFFFAOYSA-N	1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)	CCC(=O)C(O)=O	2-Ketobutyric acid
HMDB00965	C2H7NO2S	109.0197492	VVIUBCNYACGLLV-UHFFFAOYSA-N	1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5)	NCCS(O)=O	Hypotaurine
HMDB00883	C5H11NO2	117.0789786	KZSNJWFQEVHDMF-BYPYZUCNSA-N	1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1	CC(C)[C@H](N)C(O)=O	L-Valine
HMDB02243	C6H5NO2	123.0320284	SIOXPEMLGUPBBT-UHFFFAOYSA-N	1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)	OC(=O)C1=CC=CC=N1	Picolinic acid
HMDB59876	C6H10O3	130.0629942	SERHXTVXHNVDKA-UHFFFAOYSA-N	1S/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3	CC1(C)COC(=O)C1O	Pantolactone
HMDB00191	C4H7NO4	133.0375077	CKLJMWTZIZZHCS-REOHCLBHSA-N	1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1	N[C@@H](CC(O)=O)C(O)=O	L-Aspartic acid
HMDB03431	C6H11N3O	141.090212	ZQISRDCJNBUVMM-YFKPBYRVSA-N	1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1	N[C@H](CO)CC1=CN=CN1	L-Histidinol
HMDB00696	C5H11NO2S	149.0510493	FFEARJCKVFRZRR-BYPYZUCNSA-N	1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1	CSCC[C@H](N)C(O)=O	L-Methionine
HMDB01856	C7H6O4	154.0266087	YQUVCSBJEUQKSH-UHFFFAOYSA-N	1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)	OC(=O)C1=CC(O)=C(O)C=C1	Protocatechuic acid
HMDB00174	C6H12O5	164.0684735	SHZGCJCMOBCMKK-DHVFOXMCSA-N	1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m0/s1	C[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@@H]1O	L-Fucose
HMDB00126	C3H9O6P	172.0136745	AWUCVROLDVIAJX-GSVOUGTGSA-N	1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m1/s1	OC[C@@H](O)COP(O)(O)=O	Glycerol 3-phosphate
HMDB00259	C10H12N2O	176.094963	QZAYGJVTTNCVMB-UHFFFAOYSA-N	1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	NCCC1=CNC2=CC=C(O)C=C12	Serotonin
HMDB01889	C7H8N4O2	180.0647255	ZFXYFBGIUFBOJW-UHFFFAOYSA-N	1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)	CN1C2=C(NC=N2)C(=O)N(C)C1=O	Theophylline
HMDB00715	C10H7NO3	189.0425931	HCZHHEIFKROPDY-UHFFFAOYSA-N	1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)	OC(=O)C1=CC(=O)C2=CC=CC=C2N1	Kynurenic acid
HMDB01256	C10H26N4	202.2157469	PFNFFQXMRSDOHW-UHFFFAOYSA-N	1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2	NCCCNCCCCNCCCN	Spermine
HMDB00472	C11H12N2O3	220.0847923	LDCYZAJDBXYCGN-UHFFFAOYSA-N	1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)	NC(CC1=CNC2=C1C=C(O)C=C2)C(O)=O	5-Hydroxy-L-tryptophan
HMDB01186	C12H28N4O	244.2263115	GUNURVWAJRRUAV-UHFFFAOYSA-N	1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17)	CC(=O)NCCCNCCCCNCCCN	N1-Acetylspermine
HMDB00195	C10H12N4O5	268.0807695	UGQMRVRMYYASKQ-KQYNXXCUSA-N	1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CNC2=O	Inosine
HMDB00125	C10H17N3O6S	307.083806	RWSXRVCMGQZWBV-WDSKDSINSA-N	1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1	N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O	Glutathione
HMDB00163	C12H22O11	342.1162115	GUBGYTABKSRVRQ-DKBJLJRDSA-N	1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8+,9-,10-,11+,12-/m1/s1	OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O	D-Maltose
HMDB00939	C14H20N6O5S	384.1215885	ZJUKTBDSGOFHSH-WFMPWKQPSA-N	1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1	N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O	S-Adenosylhomocysteine
HMDB03335	C10H14N4O11P2	428.0134303	JPXZQMKKFWMMGK-VTHZCTBJSA-N	1S/C10H14N4O11P2/c15-6-4(1-23-27(21,22)25-26(18,19)20)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10?/m1/s1	O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)OC([C@@H]1O)N1C=NC2=C1NC=NC2=O	IDP
HMDB01440	C10H16N5O13P3	506.9957452	HAAZLUGHYHWQIW-KVQBGUIXSA-N	1S/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1	NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)N1	dGTP
HMDB00885	C43H76O2	624.5845317	BBJQPKLGPMQWBU-JADYGXMDSA-N	1S/C43H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h24,33-34,36-40H,7-23,25-32H2,1-6H3/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCCCCCCCCCC)[C@H](C)CCCC(C)C	CE(16:0)
HMDB30124	C5H10O	86.07316494	ASUAYTHWZCLXAN-UHFFFAOYSA-N	1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3	CC(C)=CCO	Prenol
HMDB00060	C4H6O3	102.0316941	WDJHALXBUFZDSR-UHFFFAOYSA-N	1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)	CC(=O)CC(O)=O	Acetoacetic acid
HMDB00957	C6H6O2	110.0367794	YCIMNLLNPGFGHC-UHFFFAOYSA-N	1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H	OC1=CC=CC=C1O	Pyrocatechol
HMDB03355	C5H11NO2	117.0789786	JJMDCOVWQOJGCB-UHFFFAOYSA-N	1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)	NCCCCC(O)=O	5-Aminopentanoic acid
HMDB00873	C7H8O2	124.0524295	ZBCATMYQYDCTIZ-UHFFFAOYSA-N	1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3	CC1=CC(O)=C(O)C=C1	4-Methylcatechol
HMDB00666	C7H14O2	130.0993797	MNWFXJYAOYHMED-UHFFFAOYSA-N	1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)	CCCCCCC(O)=O	Heptanoic acid
HMDB31518	C4H6O5	134.0215233	BJEPYKJPYRNKOW-UWTATZPHSA-N	1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1	O[C@H](CC(O)=O)C(O)=O	D-Malic acid
HMDB00469	C5H6N2O3	142.0378421	JDBGXEHEIRGOBU-UHFFFAOYSA-N	1S/C5H6N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1,8H,2H2,(H2,6,7,9,10)	OCC1=CNC(=O)NC1=O	5-Hydroxymethyluracil
HMDB11600	C6H7N5	149.0701452	FSASIHFSFGAIJM-UHFFFAOYSA-N	1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3H,7H2,1H3	CN1C=NC(N)=C2N=CN=C12	3-Methyladenine
HMDB00177	C6H9N3O2	155.0694765	HNDVDQJCIGZPNO-YFKPBYRVSA-N	1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1	N[C@@H](CC1=CNC=N1)C(O)=O	L-Histidine
HMDB00849	C6H12O5	164.0684735	SHZGCJCMOBCMKK-JFNONXLTSA-N	1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6?/m0/s1	C[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O	Rhamnose
HMDB02520	C3H9O6P	172.0136745	DHCLVCXQIBBOPH-UHFFFAOYSA-N	1S/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)	OCC(CO)OP(O)(O)=O	Beta-Glycerophosphoric acid
HMDB01015	C6H11NO3S	177.0459639	PYUSHNKNPOHWEZ-RXMQYKEDSA-N	1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m1/s1	CSCC[C@@H](NC=O)C(O)=O	N-Formyl-L-methionine
HMDB02825	C7H8N4O2	180.0647255	YAPQBXQYLJRXSA-UHFFFAOYSA-N	1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)	CN1C=NC2=C1C(=O)NC(=O)N2C	Theobromine
HMDB01138	C7H11NO5	189.0637225	RFMMMVDNIPUKGG-UHFFFAOYSA-N	1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)	CC(=O)NC(CCC(O)=O)C(O)=O	N-Acetylglutamic acid
HMDB60484	C11H9NO3	203.0582432	RSTKLPZEZYGQPY-UHFFFAOYSA-N	1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15)	OC(=O)C(=O)CC1=CNC2=CC=CC=C12	Indolepyruvate
HMDB00215	C8H15NO6	221.0899372	OVRNDRQMDRJTHS-RTRLPJTCSA-N	1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8?/m1/s1	CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O	N-Acetyl-D-glucosamine
HMDB01347	C5H12O7P2	246.0058258	NUHSROFQTUXZQQ-UHFFFAOYSA-N	1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)	CC(=C)CCOP(O)(=O)OP(O)(O)=O	Isopentenyl pyrophosphate
HMDB02259	C17H34O2	270.2558803	KEMQGTRYUADPNZ-UHFFFAOYSA-N	1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)	CCCCCCCCCCCCCCCCC(O)=O	Heptadecanoic acid
YMDB00221	C9H13N2O8P	308.0409519	JSRLJPSBLDHEIO-SHYZEUOFSA-N	1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1	0	0
HMDB00258	C12H22O11	342.1162115	CZMRCDWAGMRECN-UGDNZRGBSA-N	1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1	OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	Sucrose
HMDB00032	C27H44O	384.339216	UCTLRSWJYQTBFZ-DDPQNLDTSA-N	1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1	[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])C2=CC=C2C[C@@H](O)CC[C@]12C	7-Dehydrocholesterol
HMDB03822	C29H48O2	428.3654308	XUGISPSHIFXEHZ-JUTJDYIZSA-N	1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23+,24?,25?,26?,27?,28+,29-/m1/s1	CC(C)CCC[C@@H](C)C1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(C)=O	Cholesteryl acetate
HMDB00189	C10H15N4O14P3	507.9797607	HAEJPQIATWHALX-KQYNXXCUSA-N	1S/C10H15N4O14P3/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1	O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN=C2O	Inosine triphosphate
HMDB00918	C45H78O2	650.6001817	RJECHNNFRHZQKU-RMUVNZEASA-N	1S/C45H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h14-15,26,35-36,38-42H,7-13,16-25,27-34H2,1-6H3/b15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1	CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@]23[H])C1	CE(18:1(9Z))
HMDB31526	C5H10O	86.07316494	BYGQBDHUGHBGMD-UHFFFAOYNA-N	1/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3	CCC(C)C=O	(ѩ-2-Methylbutanal
HMDB01259	C4H6O3	102.0316941	UIUJIQZEACWQSV-UHFFFAOYSA-N	1S/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7)	OC(=O)CCC=O	Succinic acid semialdehyde
HMDB02434	C6H6O2	110.0367794	QIGBRXMKCJKVMJ-UHFFFAOYSA-N	1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H	OC1=CC=C(O)C=C1	Hydroquinone
HMDB13716	C5H11NO2	117.0789786	SNDPXSYFESPGGJ-SCSAIBSYSA-N	1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1	CCC[C@@H](N)C(O)=O	Norvaline
HMDB01398	C7H8O2	124.0524295	LHGVFZTZFXWLCP-UHFFFAOYSA-N	1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3	COC1=CC=CC=C1O	Guaiacol
HMDB02064	C6H14N2O	130.1106131	KLZGKIDSEJWEDW-UHFFFAOYSA-N	1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9)	CC(=O)NCCCCN	N-Acetylputrescine
HMDB03224	C5H10O4	134.0579088	PDWIQYODPROSQH-WISUUJSJSA-N	1S/C5H10O4/c6-2-4-3(7)1-5(8)9-4/h3-8H,1-2H2/t3-,4+,5+/m1/s1	OC[C@@H]1O[C@H](O)C[C@H]1O	Deoxyribose
HMDB00482	C8H16O2	144.1150298	WWZKQHOCKIZLMA-UHFFFAOYSA-N	1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)	CCCCCCCC(O)=O	Caprylic acid
HMDB00956	C4H6O6	150.0164379	FEWJPZIEWOKRBE-JCYAYHJZSA-N	1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1	O[C@H]([C@@H](O)C(O)=O)C(O)=O	Tartaric acid
HMDB00226	C5H4N2O4	156.0171066	PXQPEWDEAKTCGB-UHFFFAOYSA-N	1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)	OC(=O)C1=CC(=O)NC(=O)N1	Orotic acid
YMDB00294	C6H12O5	164.0684735	VRYALKFFQXWPIH-PBXRRBTRSA-N	1S/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5-,6+/m1/s1	0	0
YMDB00390	C7H8O5	172.0371734	SLWWJZMPHJJOPH-PHDIDXHHSA-N	1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5-6,9-10H,2H2,(H,11,12)/t5-,6-/m1/s1	0	0
HMDB00078	C5H10N2O3S	178.0412129	ZUKPVRWZDMRIEO-VKHMYHEASA-N	1S/C5H10N2O3S/c6-3(2-11)5(10)7-1-4(8)9/h3,11H,1-2,6H2,(H,7,10)(H,8,9)/t3-/m0/s1	N[C@@H](CS)C(=O)NCC(O)=O	Cysteinylglycine
HMDB00158	C9H11NO3	181.0738932	OUYCCCASQSFEME-QMMMGPOBSA-N	1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1	N[C@@H](CC1=CC=C(O)C=C1)C(O)=O	L-Tyrosine
HMDB29738	C11H11NO2	189.0789786	KTHADMDGDNYQRX-UHFFFAOYSA-N	1S/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3	COC(=O)CC1=CNC2=C1C=CC=C2	Indole-3-methyl acetate
HMDB13318	C11H13N3O	203.1058621	JLSKPBDKNIXMBS-UHFFFAOYSA-N	1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)	NC(CC1=CNC2=CC=CC=C12)C(N)=O	Tryptophanamide
HMDB00853	C8H15NO6	221.0899372	OVRNDRQMDRJTHS-JAJWTYFOSA-N	1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8-/m1/s1	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O	N-Acetyl-b-D-galactosamine
YMDB00095	C5H12O7P2	246.0058258	CBIDRCWHNCKSTO-UHFFFAOYSA-N	1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)	0	0
HMDB00429	C18H24O2	272.17763	VOXZDWNPVJITMN-SFFUCWETSA-N	1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1	[H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3	17a-Estradiol
HMDB00230	C11H19NO9	309.1059812	SQVRNKJHWKZAKO-PFQGKNLYSA-N	1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11-/m0/s1	CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O	N-Acetylneuraminic acid
HMDB00975	C12H22O11	342.1162115	HDTRYLNUVZCQOY-LIZSDCNHSA-N	1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1	OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	Trehalose
HMDB02719	C27H44O	384.339216	AVSXSVCZWQODGV-DPAQBDIFSA-N	1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1	[H][C@@]12CC[C@H]([C@H](C)CCC=C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C	Desmosterol
HMDB01893	C29H50O2	430.3810808	GVJHHUAWPYXKBD-IEOSBIPESA-N	1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C	Alpha-Tocopherol
HMDB01273	C10H16N5O14P3	522.9906598	XKMLYUALXHKNFT-UUOKFMHZSA-N	1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1	NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1	Guanosine triphosphate
HMDB00265	C15H12I3NO4	650.7900381	AUYYCJSJGJYCDS-LBPRGKRZSA-N	1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1	N[C@@H](CC1=CC(I)=C(OC2=CC=C(O)C(I)=C2)C(I)=C1)C(O)=O	Liothyronine
HMDB00243	C3H4O3	88.01604399	LCTONWCANYUPML-UHFFFAOYSA-N	1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)	CC(=O)C(O)=O	Pyruvic acid
HMDB00892	C5H10O2	102.0680796	NQPDZGIKBAWPEJ-UHFFFAOYSA-N	1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)	CCCCC(O)=O	Valeric acid
HMDB04230	C5H5NO2	111.0320284	WRHZVMBBRYBTKZ-UHFFFAOYSA-N	1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8)	OC(=O)C1=CC=CN1	Pyrrole-2-carboxylic acid
HMDB31522	C3H2O5	117.9902232	XEEVLJKYYUVTRC-UHFFFAOYSA-N	1S/C3H2O5/c4-1(2(5)6)3(7)8/h(H,5,6)(H,7,8)	OC(=O)C(=O)C(O)=O	Mesoxalic acid
HMDB59712	C7H8O2	124.0524295	OKVJCVWFVRATSG-UHFFFAOYSA-N	1S/C7H8O2/c8-5-6-2-1-3-7(9)4-6/h1-4,8-9H,5H2	OCC1=CC=CC(O)=C1	3-Hydroxybenzyl alcohol
HMDB00725	C5H9NO3	131.0582432	PMMYEEVYMWASQN-DMTCNVIQSA-N	1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1	O[C@H]1CN[C@@H](C1)C(O)=O	4-Hydroxyproline
HMDB00742	C4H9NO2S	135.0353992	FFFHZYDWPBMWHY-UHFFFAOYSA-N	1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)	NC(CCS)C(O)=O	Homocysteine
HMDB03681	C6H11NO3	145.0738932	UZTFMUBKZQVKLK-UHFFFAOYSA-N	1S/C6H11NO3/c1-5(8)7-4-2-3-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)	CC(=O)NCCCC(O)=O	4-Acetamidobutanoic acid
HMDB37115	C5H10O3S	150.0350649	ONFOSYPQQXJWGS-UHFFFAOYNA-N	1/C5H10O3S/c1-9-3-2-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)	CSCCC(O)C(O)=O	(ѩ-2-Hydroxy-4-(methylthio)butanoic acid
HMDB00528	C5H6N2O4	158.0327567	UFIVEPVSAGBUSI-UHFFFAOYSA-N	1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)	OC(=O)C1CC(=O)NC(=O)N1	4,5-Dihydroorotic acid
HMDB00159	C9H11NO2	165.0789786	COLNVLDHVKWLRT-QMMMGPOBSA-N	1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1	N[C@@H](CC1=CC=CC=C1)C(O)=O	L-Phenylalanine
HMDB00511	C10H20O2	172.1463299	GHVNFZFCNZKVNT-UHFFFAOYSA-N	1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)	CCCCCCCCCC(O)=O	Capric acid
HMDB00150	C6H10O6	178.0477381	PHOQVHQSTUBQQK-SQOUGZDYSA-N	1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1	OC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O	Gluconolactone
HMDB00118	C9H10O4	182.0579088	QRMZSPFSDQBLIX-UHFFFAOYSA-N	1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)	COC1=CC(CC(O)=O)=CC=C1O	Homovanillic acid
HMDB01370	C7H14N2O4	190.0953569	GMKMEZVLHJARHF-WHFBIAKZSA-N	1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1	N[C@@H](CCC[C@H](N)C(O)=O)C(O)=O	Diaminopimelic acid
HMDB00201	C9H17NO4	203.115758	RDHQFKQIGNGIED-UHFFFAOYSA-N	1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3	CC(=O)OC(CC([O-])=O)C[N+](C)(C)C	L-Acetylcarnitine
HMDB00099	C7H14N2O4S	222.0674276	ILRYLPWNYFXEMH-WHFBIAKZSA-N	1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1	N[C@@H](CCSC[C@H](N)C(O)=O)C(O)=O	L-Cystathionine
HMDB13713	C13H14N2O3	246.1004423	DZTHIGRZJZPRDV-LBPRGKRZSA-N	1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)/t12-/m0/s1	CC(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O	N-acetyltryptophan
HMDB01316	C6H13O10P	276.0246331	BIRSGZKFKXLSJQ-SQOUGZDYSA-N	1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1	O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O	6-Phosphogluconic acid
HMDB11688	C5H12O11P2	309.9854843	AAAFZMYJJHWUPN-TXICZTDVSA-N	1S/C5H12O11P2/c6-3-2(1-14-17(8,9)10)15-5(4(3)7)16-18(11,12)13/h2-7H,1H2,(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1	O[C@H]1[C@@H](O)[C@@H](OP(O)(O)=O)O[C@@H]1COP(O)(O)=O	Ribose 1,5-bisphosphate
HMDB02250	C19H37NO4	343.2722587	FUJLYHJROOYKRA-QGZVFWFLSA-N	1S/C19H37NO4/c1-5-6-7-8-9-10-11-12-13-14-19(23)24-17(15-18(21)22)16-20(2,3)4/h17H,5-16H2,1-4H3/t17-/m1/s1	CCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C	Dodecanoylcarnitine
HMDB01245	C9H15N3O10P2	387.0232667	FTDHDKPUHBLBTL-SHYZEUOFSA-N	1S/C9H15N3O10P2/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(21-8)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1	NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O1	dCDP
HMDB03474	C9H9I2NO3	432.86718	NYPYHUZRZVSYKL-ZETCQYMHSA-N	1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1	N[C@@H](CC1=CC(I)=C(O)C(I)=C1)C(O)=O	3,5-Diiodo-L-tyrosine
HMDB03648	C36H60O2	524.4593312	VYGQUTWHTHXGQB-FFHKNEKCSA-N	1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22+,32-28+	CCCCCCCCCCCCCCCC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C	Retinyl palmitate
HMDB03502	C6H18O24P6	659.8613706	IMQLKJBTEOYOSI-UHFFFAOYSA-N	1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)	OP(O)(=O)OC1C(OP(O)(O)=O)C(OP(O)(O)=O)C(OP(O)(O)=O)C(OP(O)(O)=O)C1OP(O)(O)=O	Myo-inositol hexakisphosphate
HMDB00039	C4H8O2	88.0524295	FERIUCNNQQJTOY-UHFFFAOYSA-N	1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)	CCCC(O)=O	Butyric acid
HMDB02322	C5H14N2	102.1156985	VHRGRCVQAFMJIZ-UHFFFAOYSA-N	1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2	NCCCCCN	Cadaverine
HMDB00630	C4H5N3O	111.0432618	OPTASPLRGRRNAP-UHFFFAOYSA-N	1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)	NC1=CC=NC(=O)N1	Cytosine
HMDB00202	C4H6O4	118.0266087	ZIYVHBGGAOATLY-UHFFFAOYSA-N	1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)	CC(C(O)=O)C(O)=O	Methylmalonic acid
HMDB00251	C2H7NO3S	125.0146638	XOAAWQZATWQOTB-UHFFFAOYSA-N	1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)	NCCS(O)(=O)=O	Taurine
HMDB00766	C5H9NO3	131.0582432	KTHDTJVBEPMMGL-VKHMYHEASA-N	1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1	C[C@H](NC(C)=O)C(O)=O	N-Acetyl-L-alanine
HMDB00034	C5H5N5	135.0544952	GFFGJBXGBJISGV-UHFFFAOYSA-N	1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)	NC1=NC=NC2=C1NC=N2	Adenine
HMDB03464	C5H11N3O2	145.0851266	TUHVEAJXIMEOSA-UHFFFAOYSA-N	1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8)	NC(N)=NCCCC(O)=O	4-Guanidinobutanoic acid
HMDB00098	C5H10O5	150.0528234	SRBFZHDQGSBBOR-IOVATXLUSA-N	1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5?/m1/s1	O[C@@H]1COC(O)[C@H](O)[C@H]1O	D-Xylose
HMDB00462	C4H6N4O3	158.0439901	POJWUDADGALRAB-UHFFFAOYSA-N	1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)	NC(=O)NC1NC(=O)NC1=O	Allantoin
HMDB33752	C9H10O3	166.0629942	CJBDUOMQLFKVQC-UHFFFAOYSA-N	1S/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,10H,5-6H2,(H,11,12)	OC(=O)CCC1=CC=CC=C1O	3-(2-Hydroxyphenyl)propanoic acid
HMDB00842	C10H7NO2	173.0476785	LOAUVZALPPNFOQ-UHFFFAOYSA-N	1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13)	OC(=O)C1=NC2=CC=CC=C2C=C1	Quinaldic acid
YMDB00813	C6H10O6	178.0477381	SXZYCXMUPBBULW-SKNVOMKLSA-N	1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3+,4-,5+/m0/s1	0	0
HMDB00755	C9H10O4	182.0579088	JVGVDSSUAVXRDY-UHFFFAOYSA-N	1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)	OC(CC1=CC=C(O)C=C1)C(O)=O	Hydroxyphenyllactic acid
HMDB00763	C10H9NO3	191.0582432	DUUGKQCEGZLZNO-UHFFFAOYSA-N	1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)	OC(=O)CC1=CNC2=CC=C(O)C=C12	5-Hydroxyindoleacetic acid
HMDB00929	C11H12N2O2	204.0898776	QIVBCDIJIAJPQS-VIFPVBQESA-N	1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1	N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O	L-Tryptophan
HMDB13068	C11H13NO4	223.0844579	XHGLVMDBZZZXDP-NSHDSACASA-N	1S/C11H13NO4/c1-11(10(15)16)7-5-9(14)8(13)4-6(7)2-3-12-11/h4-5,12-14H,2-3H2,1H3,(H,15,16)/t11-/m0/s1	C[C@@]1(NCCC2=C1C=C(O)C(O)=C2)C(O)=O	Salsolinol 1-carboxylate
HMDB01491	C8H10NO6P	247.0245736	NGVDGCNFYWLIFO-UHFFFAOYSA-N	1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O	Pyridoxal 5'-phosphate
HMDB03073	C18H30O2	278.2245802	VZCCETWTMQHEPK-QNEBEIHSSA-N	1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-	CCCCC\C=C/C\C=C/C\C=C/CCCCC(O)=O	Gamma-Linolenic acid
HMDB02212	C20H40O2	312.3028305	VKOBVWXKNCXXDE-UHFFFAOYSA-N	1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)	CCCCCCCCCCCCCCCCCCCC(O)=O	Arachidic acid
HMDB02666	C12H17N4O4PS	344.0708123	HZSAJDVWZRBGIF-UHFFFAOYSA-N	1S/C12H17N4O4PS/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19)	CC1=C(CCOP(O)([O-])=O)SC=[N+]1CC1=CN=C(C)N=C1N	Thiamine monophosphate
HMDB00280	C5H13O14P3	389.9518147	PQGCEDQWHSBAJP-TXICZTDVSA-N	1S/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1	O[C@H]1[C@@H](O)[C@@H](OP(O)(=O)OP(O)(O)=O)O[C@@H]1COP(O)(O)=O	Phosphoribosyl pyrophosphate
HMDB00121	C19H19N7O6	441.1396814	OVBPIULPVIDEAO-LBPRGKRZSA-N	1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1	NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=CN=C2N1	Folic acid
HMDB00582	C15H13I2NO4	524.8933947	ZHSOTLOTTDYIIK-UHFFFAOYSA-N	1S/C15H13I2NO4/c16-11-5-8(7-13(18)15(20)21)6-12(17)14(11)22-10-3-1-9(19)2-4-10/h1-6,13,19H,7,18H2,(H,20,21)	NC(CC1=CC(I)=C(OC2=CC=C(O)C=C2)C(I)=C1)C(O)=O	3,5-Diiodothyronine
HMDB00902	C21H28N7O14P2	664.1169467	BAWFJGJZGIEFAR-NNYOXOHSSA-O	1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1	NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O	NAD
HMDB01873	C4H8O2	88.0524295	KQNPFQTWMSNSAP-UHFFFAOYSA-N	1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)	CC(C)C(O)=O	Isobutyric acid
HMDB00112	C4H9NO2	103.0633285	BTCSSZJGUNDROE-UHFFFAOYSA-N	1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)	NCCCC(O)=O	Gamma-Aminobutyric acid
HMDB00870	C5H9N3	111.0796473	NTYJJOPFIAHURM-UHFFFAOYSA-N	1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)	NCCC1=CNC=N1	Histamine
HMDB00254	C4H6O4	118.0266087	KDYFGRWQOYBRFD-UHFFFAOYSA-N	1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)	OC(=O)CCC(O)=O	Succinic acid
HMDB11747	C2H8NO3P	125.0241796	QQVDJLLNRSOCEL-UHFFFAOYSA-N	1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6)	NCCP(O)(O)=O	Ciliatine
HMDB01149	C5H9NO3	131.0582432	ZGXJTSGNIOSYLO-UHFFFAOYSA-N	1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)	NCC(=O)CCC(O)=O	5-Aminolevulinic acid
HMDB00157	C5H4N4O	136.0385108	FDGQSTZJBFJUBT-UHFFFAOYSA-N	1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)	OC1=NC=NC2=C1NC=N2	Hypoxanthine
HMDB01257	C7H19N3	145.1578976	ATHGHQPFGPMSJY-UHFFFAOYSA-N	1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2	NCCCCNCCCN	Spermidine
HMDB00283	C5H10O5	150.0528234	HMFHBZSHGGEWLO-SOOFDHNKSA-N	1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5?/m1/s1	OC[C@H]1OC(O)[C@H](O)[C@@H]1O	D-Ribose
HMDB00847	C9H18O2	158.1306798	FBUKVWPVBMHYJY-UHFFFAOYSA-N	1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)	CCCCCCCCC(O)=O	Pelargonic acid
HMDB00232	C7H5NO4	167.0218577	GJAWHXHKYYXBSV-UHFFFAOYSA-N	1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)	OC(=O)C1=CC=CN=C1C(O)=O	Quinolinic acid
HMDB11756	C8H15NO3	173.1051934	WXNXCEHXYPACJF-ZETCQYMHSA-N	1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m0/s1	CC(C)C[C@H](NC(C)=O)C(O)=O	N-Acetylleucine
HMDB29415	C5H9NO4S	179.0252285	GBFLZEXEOZUWRN-UHFFFAOYNA-N	1/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)	NC(CSCC(O)=O)C(O)=O	S-Carboxymethyl-L-cysteine
YMDB01747	C9H10O4	182.0579088	BVWTXUYLKBHMOX-UHFFFAOYSA-N	1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3	0	0
HMDB11745	C7H13NO3S	191.061614	XUYPXLNMDZIRQH-UHFFFAOYSA-N	1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)	CSCCC(NC(C)=O)C(O)=O	N-Acetyl-L-methionine
HMDB13609	C11H12N2O2	204.0898776	QIVBCDIJIAJPQS-SECBINFHSA-N	1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1	N[C@H](CC1=CNC2=CC=CC=C12)C(O)=O	D-Tryptophan
HMDB00732	C10H12N2O4	224.0797069	VCKPUUFAIGNJHC-UHFFFAOYSA-N	1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)	NC(CC(=O)C1=C(N)C(O)=CC=C1)C(O)=O	Hydroxykynurenine
HMDB00101	C10H13N5O3	251.1018393	OLXZPDWKRNYJJZ-RRKCRQDMSA-N	1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1	NC1=NC=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](CO)O1	Deoxyadenosine
HMDB00673	C18H32O2	280.2402303	OYHQOLUKZRVURQ-HZJYTTRNSA-N	1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-	CCCCC\C=C/C\C=C/CCCCCCCC(O)=O	Linoleic acid
HMDB01285	C10H20O7P2	314.068426	GVVPGTZRZFNKDS-JXMROGBWSA-N	1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7+	CC(C)=CCC\C(C)=C\COP(O)(=O)OP(O)(O)=O	Geranyl-PP
HMDB01314	C10H12N5O7P	345.0474343	ZOOGRGPOEVQQDX-UUOKFMHZSA-N	1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1	NC1=NC2=C(N=CN2[C@@H]2O[C@@H]3COP(O)(=O)O[C@H]3[C@H]2O)C(=O)N1	Cyclic GMP
HMDB00518	C24H40O4	392.2926598	RUDATBOHQWOJDD-BSWAIDMHSA-N	1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O	Chenodeoxycholic acid
HMDB01201	C10H15N5O11P2	443.0243294	QGWNDRXFNXRZMB-UUOKFMHZSA-N	1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1	NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1	Guanosine diphosphate
HMDB00561	C40H56	536.4382018	OENHQHLEOONYIE-JLTXGRSLSA-N	1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+	C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	B-Carotene
HMDB01179	C21H27N6O15P2	665.1009622	SENPVEZBRZQVST-HISDBWNOSA-O	1S/C21H26N6O15P2/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-3-1-2-9(4-26)21(32)33/h1-4,7-8,10-11,13-16,19-20,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1	NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)[N+]4=CC=CC(=C4)C(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1	Nicotinic acid adenine dinucleotide
HMDB03243	C4H8O2	88.0524295	ROWKJAVDOGWPAT-UHFFFAOYSA-N	1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3	CC(O)C(C)=O	Acetoin
HMDB01906	C4H9NO2	103.0633285	FUOOLUPWFVMBKG-UHFFFAOYSA-N	1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)	CC(C)(N)C(O)=O	2-Aminoisobutyric acid
HMDB00300	C4H4N2O2	112.0272774	ISAKRJDGNUQOIC-UHFFFAOYSA-N	1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)	O=C1NC=CC(=O)N1	Uracil
HMDB00167	C4H9NO3	119.0582432	AYFVYJQAPQTCCC-GBXIJSLDSA-N	1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1	C[C@@H](O)[C@H](N)C(O)=O	L-Threonine
HMDB02894	C5H7N3O	125.0589119	LRSASMSXMSNRBT-UHFFFAOYSA-N	1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9)	CC1=C(N)NC(=O)N=C1	5-Methylcytosine
HMDB06055	C5H9NO3	131.0582432	PMMYEEVYMWASQN-BKLSDQPFSA-N	1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3?,4-/m0/s1	OC1CN[C@@H](C1)C(O)=O	4-Hydroxy-L-proline
HMDB40733	C8H8O2	136.0524295	IPBVNPXQWQGGJP-UHFFFAOYSA-N	1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3	CC(=O)OC1=CC=CC=C1	Phenyl acetate
HMDB00208	C5H6O5	146.0215233	KPGXRSRHYNQIFN-UHFFFAOYSA-N	1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)	OC(=O)CCC(=O)C(O)=O	Oxoglutaric acid
YMDB00654	C5H10O5	150.0528234	PYMYPHUHKUWMLA-WDCZJNDASA-N	1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4-,5+/m1/s1	0	0
HMDB01190	C10H9NO	159.0684139	WHOOUMGHGSPMGR-UHFFFAOYSA-N	1S/C10H9NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11H,5H2	O=CCC1=CNC2=CC=CC=C12	Indoleacetaldehyde
HMDB01545	C8H9NO3	167.0582432	RADKZDMFGJYCBB-UHFFFAOYSA-N	1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3	CC1=C(O)C(C=O)=C(CO)C=N1	Pyridoxal
HMDB00958	C6H6O6	174.0164379	GTZCVFVGUGFEME-HNQUOIGGSA-N	1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+	OC(=O)C\C(=C/C(O)=O)C(O)=O	trans-Aconitic acid
HMDB00714	C9H9NO3	179.0582432	QIAFMBKCNZACKA-UHFFFAOYSA-N	1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)	OC(=O)CNC(=O)C1=CC=CC=C1	Hippuric acid
HMDB00107	C6H14O6	182.0790382	FBPFZTCFMRRESA-GUCUJZIJSA-N	1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6-	OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO	Galactitol
HMDB00094	C6H8O7	192.0270026	KRKNYBCHXYNGOX-UHFFFAOYSA-N	1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)	OC(=O)CC(O)(CC(O)=O)C(O)=O	Citric acid
HMDB00881	C10H7NO4	205.0375077	FBZONXHGGPHHIY-UHFFFAOYSA-N	1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)	OC(=O)C1=NC2=C(O)C=CC=C2C(O)=C1	Xanthurenic acid
HMDB36583	C13H20O3	224.1412445	GEWDNTWNSAZUDX-LEPXEHPDNA-N	1/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-/t10-,11-/s2	CC\C=C/C[C@@H]1[C@@H](CC(=O)OC)CCC1=O	Methyl jasmonate
HMDB01983	C10H13N5O3	251.1018393	XGYIMTFOTBMPFP-KQYNXXCUSA-N	1S/C10H13N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H3,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1	C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12	5'-Deoxyadenosine
HMDB03331	C11H15N5O4	281.112404	GFYLSDSUCHVORB-IOSLPCCCSA-N	1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3/t5-,7-,8-,11-/m1/s1	CN1C=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=N	1-Methyladenosine
HMDB04068	C18H10N2O4	318.0640568	XUMBMVFBXHLACL-UHFFFAOYSA-N	1S/C18H10N2O4/c1-5-13-9-7(3-19-13)12-10-8(11(9)17(23)15(5)21)4-20-14(10)6(2)16(22)18(12)24/h3-4,19-20H,1-2H3	CC1=C2NC=C3C2=C(C2=CNC4=C(C)C(=O)C(=O)C3=C24)C(=O)C1=O	Melanin
HMDB00015	C21H30O4	346.2144094	WHBHBVVOGNECLV-HMGFGKNBSA-N	1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16?,17?,19+,20+,21+/m1/s1	[H]C12CC[C@](O)(C(=O)CO)[C@@]1(C)CCC1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	Cortexolone
HMDB00626	C24H40O4	392.2926598	KXGVEGMKQFWNSR-LLQZFEROSA-N	1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C	Deoxycholic acid
HMDB01056	C19H21N7O6	443.1553314	OZRNSSUDZOLUSN-LBPRGKRZSA-N	1S/C19H21N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t12-/m0/s1	NC1=NC2=C(N=C(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CN2)C(=O)N1	Dihydrofolic acid
HMDB01178	C15H23N5O14P2	559.0716735	SRNWOUGRCWSEMX-UHFFFAOYSA-N	1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)	NC1=C2N=CN(C3OC(COP(O)(=O)OP(O)(=O)OCC4OC(O)C(O)C4O)C(O)C3O)C2=NC=N1	Adenosine diphosphate ribose
HMDB03553	C24H42O21	666.2218584	UQZIYBXSHAGNOE-XNSRJBNMSA-N	1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-11(29)15(33)18(36)22(42-8)40-4-9-12(30)16(34)19(37)23(43-9)45-24(5-27)20(38)13(31)7(2-26)44-24/h6-23,25-38H,1-5H2/t6-,7-,8-,9-,10+,11+,12-,13-,14+,15+,16+,17-,18-,19-,20+,21+,22+,23-,24+/m1/s1	OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	Stachyose
HMDB06007	C5H12O	88.08881501	PHTQWCKDNZKARW-UHFFFAOYSA-N	1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3	CC(C)CCO	Isopentanol
HMDB00691	C3H4O4	104.0109586	OFOBLEOULBTSOW-UHFFFAOYSA-N	1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)	OC(=O)CC(O)=O	Malonic acid
YMDB01784	C6H8O2	112.0524295	WSWCOQWTEOXDQX-MQQKCMAXSA-N	1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+	0	0
HMDB00719	C4H9NO3	119.0582432	UKAUYVFTDYCKQA-VKHMYHEASA-N	1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1	N[C@@H](CCO)C(O)=O	L-Homoserine
HMDB01861	C6H11N3	125.0952974	CPAGZVLINCPJEH-UHFFFAOYSA-N	1S/C6H11N3/c1-9-5-8-4-6(9)2-3-7/h4-5H,2-3,7H2,1H3	CN1C=NC=C1CCN	3-Methylhistamine
HMDB60460	C5H9NO3	131.0582432	PMMYEEVYMWASQN-SEFKMRKONA-N	1/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/s2	O[C@H]1CN[C@H](C1)C(O)=O	cis-4-Hydroxy-D-proline
HMDB00875	C7H7NO2	137.0476785	WWNNZCOKKKDOPX-UHFFFAOYSA-N	1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3	C[N+]1=CC(=CC=C1)C([O-])=O	Trigonelline
HMDB00448	C6H10O4	146.0579088	WNLRTRBMVRJNCN-UHFFFAOYSA-N	1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)	OC(=O)CCCCC(O)=O	Adipic acid
HMDB00132	C5H5N5O	151.0494098	UYTPUPDQBNUYGX-UHFFFAOYSA-N	1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)	NC1=NC(=O)C2=C(N1)N=CN2	Guanine
HMDB00225	C6H8O5	160.0371734	FGSBNBBHOZHUBO-UHFFFAOYSA-N	1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)	OC(=O)CCCC(=O)C(O)=O	Oxoadipic acid
HMDB00022	C9H13NO2	167.0946287	DIVQKHQLANKJQO-UHFFFAOYSA-N	1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3	COC1=C(O)C=CC(CCN)=C1	3-Methoxytyramine
HMDB01264	C6H6O6	174.0164379	SBJKKFFYIZUCET-DUZGATOHSA-N	1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2/t2-,5-/m1/s1	[H][C@@]1(OC(=O)C(=O)C1=O)[C@H](O)CO	Dehydroascorbic acid
HMDB01514	C6H13NO5	179.0793725	MSWZFWKMSRAUBD-IVMDWMLBSA-N	1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6?/m1/s1	N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O	Glucosamine
HMDB00247	C6H14O6	182.0790382	FBPFZTCFMRRESA-JGWLITMVSA-N	1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1	OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	Sorbitol
HMDB00193	C6H8O7	192.0270026	ODBLHEXUDAPZAU-UHFFFAOYSA-N	1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)	OC(C(CC(O)=O)C(O)=O)C(O)=O	Isocitric acid
HMDB00962	C8H15NOS2	205.0595055	FCCDDURTIIUXBY-UHFFFAOYSA-N	1S/C8H15NOS2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H2,9,10)	NC(=O)CCCCC1CCSS1	Lipoamide
HMDB00033	C9H14N4O3	226.1065903	CQOVPNPJLQNMDC-ZETCQYMHSA-N	1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1	NCCC(=O)N[C@@H](CC1=CN=CN1)C(O)=O	Carnosine
HMDB03229	C16H30O2	254.2245802	SECPZKHBENQXJG-FPLPWBNLSA-N	1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-	CCCCCC\C=C/CCCCCCCC(O)=O	Palmitoleic acid
HMDB02080	C18H33O2	281.2480553	CNVZJPUDSLNTQU-SEYXRHQNSA-M	1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/p-1/b13-12-	CCCCCCCCCCC\C=C/CCCCC([O-])=O	Petroselinic acid
HMDB01227	C10H15N2O8P	322.056602	GYOZYWVXFNDGLU-XLPZGREQSA-N	1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O	5-Thymidylic acid
HMDB01547	C21H30O4	346.2144094	OMFXVFTZEKFJBZ-HJTSIMOOSA-N	1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1	[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	Corticosterone
HMDB00900	C28H44O	396.339216	MECHNRXZTMCUDQ-RKHKHRCZSA-N	1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1	CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C	Ergocalciferol
HMDB01846	C19H23N7O6	445.1709815	MSTNYGQPCMXVAQ-PXYINDEMSA-N	1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11-,12?/m0/s1	NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C=C3)C(=O)NC(CCC(O)=O)C(O)=O)N2)N1	Tetrahydrofolic acid
HMDB00241	C34H34N4O4	562.2580056	KSFOVUSSGSKXFI-UJJXFSCMSA-N	1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,35,38H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-	CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C)C(C=C)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(C=C)=C4C)/C(C)=C3CCC(O)=O	Protoporphyrin IX
HMDB08923	C37H74NO8P	691.5152049	SLKDGVPOSSLUAI-PGUFJCEWSA-N	1S/C37H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m1/s1	[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC	PE(16:0/16:0)
HMDB01414	C4H12N2	88.10004839	KIDHWZJUCRJVML-UHFFFAOYSA-N	1S/C4H12N2/c5-3-1-2-4-6/h1-6H2	NCCCCN	Putrescine
HMDB01352	C3H4O4	104.0109586	HHDDCCUIIUWNGJ-UHFFFAOYSA-N	1S/C3H4O4/c4-1-2(5)3(6)7/h4H,1H2,(H,6,7)	OCC(=O)C(O)=O	Hydroxypyruvic acid
HMDB00562	C4H7N3O	113.0589119	DDRJAANPRJIHGJ-UHFFFAOYSA-N	1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)	CN1CC(=O)NC1=N	Creatinine
HMDB04041	C4H9NO3	119.0582432	AYFVYJQAPQTCCC-HRFVKAFMSA-N	1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m0/s1	C[C@H](O)[C@H](N)C(O)=O	L-Allothreonine
HMDB00262	C5H6N2O2	126.0429274	RWQNBRDOKXIBIV-UHFFFAOYSA-N	1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)	CC1=CNC(=O)NC1=O	Thymine
HMDB00064	C4H9N3O2	131.0694765	CVSVTCORWBXHQV-UHFFFAOYSA-N	1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)	CN(CC(O)=O)C(N)=N	Creatine
HMDB01392	C7H7NO2	137.0476785	ALYNCZNDIQEVRV-UHFFFAOYSA-N	1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)	NC1=CC=C(C=C1)C(O)=O	p-Aminobenzoic acid
HMDB00752	C6H10O4	146.0579088	XJMMNTGIMDZPMU-UHFFFAOYSA-N	1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)	CC(CC(O)=O)CC(O)=O	Methylglutaric acid
HMDB00292	C5H4N4O2	152.0334254	LRFVTYWOQMYALW-UHFFFAOYSA-N	1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)	O=C1NC2=C(NC=N2)C(=O)N1	Xanthine
HMDB00857	C7H12O4	160.0735589	WLJVNTCWHIRURA-UHFFFAOYSA-N	1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)	OC(=O)CCCCCC(O)=O	Pimelic acid
HMDB00263	C3H5O6P	167.9823744	DTBNBXWJWCWCIK-UHFFFAOYSA-N	1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)	OC(=O)C(=C)OP(O)(O)=O	Phosphoenolpyruvic acid
HMDB03070	C7H10O5	174.0528234	JXOHGGNKMLTUBP-HSUXUTPPSA-N	1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1	O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(O)=O	Shikimic acid
HMDB00707	C9H8O4	180.0422587	KKADPXVIOXHVKN-UHFFFAOYSA-N	1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)	OC(=O)C(=O)CC1=CC=C(O)C=C1	4-Hydroxyphenylpyruvic acid
HMDB00765	C6H14O6	182.0790382	FBPFZTCFMRRESA-KVTDHHQDSA-N	1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1	OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	Mannitol
HMDB03072	C7H12O6	192.0633881	AAWZDTNXLSGCEK-RKGSPJAZSA-N	1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4?,5-,7+/m1/s1	OC1C[C@@](O)(C[C@@H](O)[C@H]1O)C(O)=O	Quinic acid
HMDB00512	C11H13NO3	207.0895433	CBQJSKKFNMDLON-JTQLQIEISA-N	1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1	CC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O	N-Acetyl-L-phenylalanine
HMDB00014	C9H13N3O4	227.0906059	CKTSBUTUHBMZGZ-SHYZEUOFSA-N	1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1	NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](CO)O1	Deoxycytidine
HMDB00220	C16H32O2	256.2402303	IPCSVZSSVZVIGE-UHFFFAOYSA-N	1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)	CCCCCCCCCCCCCCCC(O)=O	Palmitic acid
HMDB00207	C18H34O2	282.2558803	ZQPPMHVWECSIRJ-KTKRTIGZSA-N	1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-	CCCCCCCC\C=C/CCCCCCCC(O)=O	Oleic acid
HMDB00095	C9H14N3O8P	323.051851	IERHLVCPSMICTF-XVFCMESISA-N	1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1	NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O	Cytidine monophosphate
HMDB00045	C10H14N5O7P	347.0630843	UDMBCSSLTHHNCD-KQYNXXCUSA-N	1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O	Adenosine monophosphate
HMDB01185	C15H23N6O5S	399.1450636	MEFKEPWMEQBLKI-AIRLBKTGSA-O	1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7-,8+,10+,11+,14+,27?/m0/s1	C[S+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12	S-Adenosylmethionine
HMDB01564	C11H20N4O11P2	446.0603805	WVIMUEUQJFPNDK-PEBGCTIMSA-N	1S/C11H20N4O11P2/c12-2-4-23-27(19,20)26-28(21,22)24-5-6-8(16)9(17)10(25-6)15-3-1-7(13)14-11(15)18/h1,3,6,8-10,16-17H,2,4-5,12H2,(H,19,20)(H,21,22)(H2,13,14,18)/t6-,8-,9-,10-/m1/s1	NCCOP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O	CDP-Ethanolamine
HMDB01328	C16H26N2O16P2	564.0757558	YSYKRGRSMLTJNL-KFQCIAAJSA-N	1S/C16H26N2O16P2/c1-6-3-18(16(25)17-14(6)24)10-2-7(20)9(31-10)5-30-35(26,27)34-36(28,29)33-15-13(23)12(22)11(21)8(4-19)32-15/h3,7-13,15,19-23H,2,4-5H2,1H3,(H,26,27)(H,28,29)(H,17,24,25)/t7-,8+,9+,10+,11+,12-,13+,15?/m0/s1	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O2)C(=O)NC1=O	dTDP-D-glucose
HMDB42061	C45H86O6	722.6424405	DUXYWXYOBMKGIN-UHFFFAOYSA-N	1S/C45H86O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-43(46)49-40-42(51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h42H,4-41H2,1-3H3	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC	TG(14:0/14:0/14:0)
HMDB00161	C3H7NO2	89.04767847	QNAYBMKLOCPYGJ-REOHCLBHSA-N	1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1	C[C@H](N)C(O)=O	L-Alanine
HMDB00008	C4H8O3	104.0473441	AFENDNXGAFYKQO-UHFFFAOYSA-N	1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)	CCC(O)C(O)=O	2-Hydroxybutyric acid
HMDB00076	C4H6N2O2	114.0429274	OIVLITBTBDPEFK-UHFFFAOYSA-N	1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)	O=C1CCNC(=O)N1	Dihydrouracil
HMDB01368	C3H4O3S	119.9881147	OJOLFAIGOXZBCI-UHFFFAOYSA-N	1S/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6)	OC(=O)C(=O)CS	3-Mercaptopyruvic acid
HMDB02024	C5H6N2O2	126.0429274	PRJKNHOMHKJCEJ-UHFFFAOYSA-N	1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)	OC(=O)CC1=CN=CN1	Imidazoleacetic acid
HMDB00172	C6H13NO2	131.0946287	AGPKZVBTJJNPAG-WHFBIAKZSA-N	1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1	CC[C@H](C)[C@H](N)C(O)=O	L-Isoleucine
HMDB15687	C7H7NO2	137.0476785	SKZKKFZAGNVIMN-UHFFFAOYSA-N	1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10)	NC(=O)C1=CC=CC=C1O	Salicylamide
HMDB00641	C5H10N2O3	146.0691422	ZDXPYRJPNDTMRX-VKHMYHEASA-N	1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1	N[C@@H](CCC(N)=O)C(O)=O	L-Glutamine
HMDB00020	C8H8O3	152.0473441	XQXPVVBIMDBYFF-UHFFFAOYSA-N	1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)	OC(=O)CC1=CC=C(O)C=C1	p-Hydroxyphenylacetic acid
HMDB00303	C10H12N2	160.1000484	APJYDQYYACXCRM-UHFFFAOYSA-N	1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2	NCCC1=CNC2=CC=CC=C12	Tryptamine
HMDB00289	C5H4N4O3	168.02834	LEHOTFFKMJEONL-UHFFFAOYSA-N	1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)	O=C1NC2=C(N1)C(=O)NC(=O)N2	Uric acid
HMDB06028	C6H10N2O4	174.0640568	HXFOXFJUNFFYMO-BYPYZUCNSA-N	1S/C6H10N2O4/c1-3(9)8-4(6(11)12)2-5(7)10/h4H,2H2,1H3,(H2,7,10)(H,8,9)(H,11,12)/t4-/m0/s1	CC(=O)N[C@@H](CC(N)=O)C(O)=O	N-Acetylasparagine
HMDB01964	C9H8O4	180.0422587	QAIPRVGONGVQAS-RQOWECAXSA-N	1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2-	OC(=O)\C=C/C1=CC=C(O)C(O)=C1	Caffeic acid
HMDB00017	C8H9NO4	183.0531578	HXACOUQIXZGNBF-UHFFFAOYSA-N	1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13)	CC1=NC=C(CO)C(C(O)=O)=C1O	4-Pyridoxic acid
HMDB00127	C6H10O7	194.0426527	AEMOLEFTQBMNLQ-WAXACMCWSA-N	1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6-/m0/s1	O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O	D-Glucuronic acid
HMDB00684	C10H12N2O3	208.0847923	YGPSJZOEDVAXAB-QMMMGPOBSA-N	1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1	N[C@@H](CC(=O)C1=CC=CC=C1N)C(O)=O	L-Kynurenine
HMDB00012	C9H12N2O5	228.0746215	MXHRCPNRJAMMIM-SHYZEUOFSA-N	1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1	OC[C@H]1O[C@H](C[C@@H]1O)N1C=CC(=O)NC1=O	Deoxyuridine
HMDB00592	C6H13NO8S	259.0361871	MTDHILKWIRSIHB-QZABAPFNSA-N	1S/C6H13NO8S/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H,11,12,13)/t2-,3-,4-,5-,6-/m1/s1	N[C@H]1[C@H](O)O[C@H](COS(O)(=O)=O)[C@@H](O)[C@@H]1O	Glucosamine 6-sulfate
HMDB00573	C18H34O2	282.2558803	ZQPPMHVWECSIRJ-MDZDMXLPSA-N	1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+	CCCCCCCC\C=C\CCCCCCCC(O)=O	Elaidic acid
HMDB00288	C9H13N2O9P	324.0358665	DJJCXFVJDGTHFX-XVFCMESISA-N	1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1	O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O	Uridine 5'-monophosphate
HMDB01044	C10H14N5O7P	347.0630843	LTFMZDNNPPEQNG-KVQBGUIXSA-N	1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1	NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)N1	2'-Deoxyguanosine 5'-monophosphate
HMDB06247	C27H46O2	402.3497807	INBGSXNNRGWLJU-POAVOMIWSA-N	1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23?,24?,26+,27-/m1/s1	[H]C12CC[C@H]([C@H](C)CCCC(C)(C)O)[C@@]1(C)CCC1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C	25-Hydroxycholesterol
HMDB04486	C20H36O7P2	450.1936265	OINNEUNVOZHBOX-QIRCYJPOSA-N	1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+,20-15+	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O	Geranylgeranyl-PP
HMDB00286	C15H24N2O17P2	566.0550204	HSCJRCZFDFQWRP-LPTOLDDLSA-N	1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14?/m0/s1	OC[C@@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)N2C=CC(=O)NC2=O)[C@@H](O)[C@H](O)[C@H]1O	Uridine diphosphate glucose
HMDB01348	C41H84N2O6P	731.6066999	LKQLRGMMMAHREN-YJFXYUILSA-O	1S/C41H83N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h32,34,39-40,44H,6-31,33,35-38H2,1-5H3,(H-,42,45,46,47)/p+1/b34-32+/t39-,40+/m0/s1	CCCCCCCCCCCCCCCCCC(=O)N[C@@]([H])(COP(O)(=O)OCC[N+](C)(C)C)[C@]([H])(O)\C=C\CCCCCCCCCCCCC	SM(d18:1/18:0)
HMDB00271	C3H7NO2	89.04767847	FSYKKLYZXJSNPZ-UHFFFAOYSA-N	1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)	CNCC(O)=O	Sarcosine
HMDB00729	C4H8O3	104.0473441	BWLBGMIXKSTLSX-UHFFFAOYSA-N	1S/C4H8O3/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6)	CC(C)(O)C(O)=O	Alpha-Hydroxyisobutyric acid
HMDB00162	C5H9NO2	115.0633285	ONIBWKKTOPOVIA-BYPYZUCNSA-N	1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1	OC(=O)[C@@H]1CCCN1	L-Proline
HMDB01366	C5H4N4	120.0435961	KDCGOANMDULRCW-UHFFFAOYSA-N	1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)	N1C=NC2=C1C=NC=N2	Purine
HMDB00267	C5H7NO3	129.0425931	ODHCTXKNWHHXJC-VKHMYHEASA-N	1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1	OC(=O)[C@@H]1CCC(=O)N1	Pyroglutamic acid
HMDB00687	C6H13NO2	131.0946287	ROHFNLRQFUQHCH-YFKPBYRVSA-N	1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1	CC(C)C[C@H](N)C(O)=O	L-Leucine
HMDB00699	C7H9N2O	137.0714879	LDHMAVIPBRSVRG-UHFFFAOYSA-O	1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1	C[N+]1=CC=CC(=C1)C(N)=O	1-Methylnicotinamide
HMDB03701	C9H10N2	146.0843983	LJUQGASMPRMWIW-UHFFFAOYSA-N	1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11)	CC1=CC2=C(C=C1C)N=CN2	Dimethylbenzimidazole
HMDB00703	C8H8O3	152.0473441	IWYDHOAUDWTVEP-ZETCQYMHSA-N	1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m0/s1	O[C@H](C(O)=O)C1=CC=CC=C1	Mandelic acid
HMDB00510	C6H11NO4	161.0688078	OYIFNHCXNCRBQI-UHFFFAOYSA-N	1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)	NC(CCCC(O)=O)C(O)=O	Aminoadipic acid
HMDB00130	C8H8O4	168.0422587	IGMNYECMUMZDDF-UHFFFAOYSA-N	1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)	OC(=O)CC1=C(O)C=CC(O)=C1	Homogentisic acid
HMDB29739	C10H10N2O	174.079313	ZOAMBXDOGPRZLP-UHFFFAOYSA-N	1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13)	OC(=N)CC1=CNC2=CC=CC=C12	1H-Indole-3-acetamide
HMDB29430	C5H12N2O3S	180.056863	SXTAYKAGBXMACB-UHFFFAOYNA-N	1/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)	CS(=N)(=O)CCC(N)C(O)=O	Methionine sulfoximine
HMDB00068	C9H13NO3	183.0895433	UCTWMZQNUQWSLP-VIFPVBQESA-N	1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1	CNC[C@H](O)C1=CC=C(O)C(O)=C1	Epinephrine
HMDB03402	C6H10O7	194.0426527	AEMOLEFTQBMNLQ-DTEWXJGMSA-N	1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6+/m0/s1	O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O	Pectin
HMDB00639	C6H10O8	210.0375673	DSLZVSRJTYRBFB-DUHBMQHGSA-N	1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4-	O[C@@H]([C@@H](O)[C@H](O)C(O)=O)[C@@H](O)C(O)=O	Galactaric acid
HMDB00806	C14H28O2	228.2089301	TUNFSRHWOTWDNC-UHFFFAOYSA-N	1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)	CCCCCCCCCCCCCC(O)=O	Myristic acid
HMDB01254	C6H14NO8P	259.0457029	XHMJOUIAFHJHBW-UKFBFLRUSA-N	1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6+/m1/s1	N[C@H]1[C@@H](O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O	Glucosamine 6-phosphate
HMDB00133	C10H13N5O5	283.0916686	NYHBQMYGNKIUIF-UUOKFMHZSA-N	1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1	NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1	Guanosine
HMDB02183	C22H32O2	328.2402303	MBMBGCFOFBJSGT-KUBAVDMBSA-N	1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O	Docosahexaenoic acid
HMDB00175	C10H13N4O8P	348.0470999	GRSZFWQUAKGDAV-KQYNXXCUSA-N	1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1	O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CNC2=O	Inosinic acid
HMDB01546	C9H15N3O11P2	403.0181814	ZWIADYZPOWUWEW-XVFCMESISA-N	1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1	NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O	CDP
HMDB03555	C31H46O2	450.3497807	MBWXNTAXLNYFJB-LKUDQCMESA-N	1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+	CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC1=C(C)C(=O)C2=CC=CC=C2C1=O	Vitamin K1
HMDB00302	C15H24N2O17P2	566.0550204	HSCJRCZFDFQWRP-ABVWGUQPSA-N	1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8+,9-,10+,11-,12-,13-,14-/m1/s1	OC[C@H]1O[C@H](O[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@H](O)[C@@H](O)[C@H]1O	Uridine diphosphategalactose
HMDB00217	C21H29N7O17P3	744.0832771	XJLXINKUBYWONI-NNYOXOHSSA-O	1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1	NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O	NADP
HMDB02329	C2H2O4	89.99530855	MUBZPKHOEPUJKR-UHFFFAOYSA-N	1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)	OC(=O)C(O)=O	Oxalic acid
HMDB02006	C3H8N2O2	104.0585775	PECYZEOJVXMISF-REOHCLBHSA-N	1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/t2-/m0/s1	NC[C@H](N)C(O)=O	2,3-Diaminopropionic acid
HMDB00134	C4H4O4	116.0109586	VZCYOOQTPOCHFL-OWOJBTEDSA-N	1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+	OC(=O)\C=C\C(O)=O	Fumaric acid
HMDB06236	C8H8O	120.0575149	DTUQWGWMVIHBKE-UHFFFAOYSA-N	1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2	O=CCC1=CC=CC=C1	Phenylacetaldehyde
HMDB00805	C5H7NO3	129.0425931	ODHCTXKNWHHXJC-UHFFFAOYSA-N	1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)	OC(=O)C1CCC(=O)N1	Pyrrolidonecarboxylic acid
HMDB11634	C6H17N3	131.1422476	OTBHHUPVCYLGQO-UHFFFAOYSA-N	1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2	NCCCNCCCN	Norspermidine
HMDB00306	C8H11NO	137.084064	DZGWFCGJZKJUFP-UHFFFAOYSA-N	1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2	NCCC1=CC=C(O)C=C1	Tyramine
HMDB00182	C6H14N2O2	146.1055277	KDXKERNSBIXSRK-YFKPBYRVSA-N	1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1	NCCCC[C@H](N)C(O)=O	L-Lysine
HMDB29659	C8H8O3	152.0473441	SULYEHHGGXARJS-UHFFFAOYSA-N	1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3	CC(=O)C1=C(O)C=C(O)C=C1	2',4'-Dihydroxyacetophenone
HMDB03447	C10H11NO	161.084064	MBBOMCVGYCRMEA-UHFFFAOYSA-N	1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2	OCCC1=CNC2=CC=CC=C12	Tryptophanol
HMDB01336	C8H8O4	168.0422587	CFFZDZCDUFSOFZ-UHFFFAOYSA-N	1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)	OC(=O)CC1=CC=C(O)C(O)=C1	3,4-Dihydroxybenzeneacetic acid
HMDB00893	C8H14O4	174.0892089	TYFQFVWCELRYAO-UHFFFAOYSA-N	1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)	OC(=O)CCCCCCC(O)=O	Suberic acid
HMDB00143	C6H12O6	180.0633881	WQZGKKKJIJFFOK-PHYPRBDBSA-N	1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1	OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O	D-Galactose
HMDB00819	C9H13NO3	183.0895433	YNYAYWLBAHXHLL-UHFFFAOYSA-N	1S/C9H13NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,5,10H2,1H3	COC1=CC(=CC=C1O)C(O)CN	Normetanephrine
HMDB00954	C10H10O4	194.0579088	KSEBMYQBYZTDHS-HWKANZROSA-N	1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+	COC1=C(O)C=CC(\C=C\C(O)=O)=C1	trans-Ferulic acid
HMDB29881	C6H10O8	210.0375673	DSLZVSRJTYRBFB-UHFFFAOYNA-N	1/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)	OC(C(O)C(O)C(O)=O)C(O)C(O)=O	D-Glucaric acid
HMDB01548	C5H11O8P	230.0191538	KTVPXOYAKDPRHY-SOOFDHNKSA-N	1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5?/m1/s1	OC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O	D-Ribose 5-phosphate
HMDB00124	C6H13O9P	260.0297185	GSXOAOHZAIYLCY-HSUXUTPPSA-N	1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14)/t4-,5-,6-/m1/s1	OCC(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O	Fructose 6-phosphate
HMDB00299	C10H12N4O6	284.0756841	UBORTCNDUKBEOP-UUOKFMHZSA-N	1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m1/s1	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=C(O)N=C2O	Xanthosine
HMDB00058	C10H12N5O6P	329.0525197	IVOMOUWHDPKRLL-KQYNXXCUSA-N	1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O	Cyclic AMP
HMDB01160	C23H46O2	354.3497807	XEZVDURJDFGERA-UHFFFAOYSA-N	1S/C23H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-22H2,1H3,(H,24,25)	CCCCCCCCCCCCCCCCCCCCCCC(O)=O	Tricosanoic acid
HMDB00295	C9H14N2O12P2	404.0021969	XCCTYIAWTASOJW-XVFCMESISA-N	1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1	O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O	Uridine 5'-diphosphate
HMDB00138	C26H43NO6	465.3090381	RFDAIACWWDREDC-MZMBZMQMSA-N	1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15?,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1	[H][C@@]12CC[C@H]([C@H](C)CCC(=O)NCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)CC2C[C@H](O)CC[C@]12C	Glycocholic acid
HMDB00935	C15H22N2O18P2	580.0342849	HDYANYHVCAPMJV-LXQIFKJMSA-N	1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1	O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O	Uridine diphosphate glucuronic acid
HMDB00221	C21H30N7O17P3	745.0911021	ACFIXJIJDZMPPO-NCHANQSKSA-N	1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m0/s1	NC(=O)C1=CN(C=CC1)[C@H]1O[C@@H](COP(O)(=O)OP(O)(=O)OC[C@@H]2O[C@@H]([C@@H](OP(O)(O)=O)[C@H]2O)N2C=NC3=C(N)N=CN=C23)[C@H](O)[C@@H]1O	NADPH
HMDB00190	C3H6O3	90.03169406	JVTAAEKCZFNVCJ-REOHCLBHSA-N	1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1	C[C@H](O)C(O)=O	L-Lactic acid
HMDB00097	C5H14NO	104.1075391	OEYIOHPDSNJKLS-UHFFFAOYSA-N	1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1	C[N+](C)(C)CCO	Choline
HMDB00176	C4H4O4	116.0109586	VZCYOOQTPOCHFL-UPHRSURJSA-N	1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-	OC(=O)\C=C/C(O)=O	Maleic acid
HMDB00574	C3H7NO2S	121.0197492	XUJNEKJLAYXESH-REOHCLBHSA-N	1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1	N[C@@H](CS)C(O)=O	L-Cysteine
HMDB33731	C9H7N	129.0578492	SMWDFEZZVXVKRB-UHFFFAOYSA-N	1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H	C1=CC=C2N=CC=CC2=C1	Quinoline
HMDB00223	C4H4O5	132.0058732	KHPXUQMNIQBQEV-UHFFFAOYSA-N	1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)	OC(=O)CC(=O)C(O)=O	Oxalacetic acid
HMDB01065	C8H11NO	137.084064	ULSIYEODSMZIPX-UHFFFAOYSA-N	1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2	NCC(O)C1=CC=CC=C1	2-Hydroxyphenethylamine
HMDB00895	C7H16NO2	146.1181038	OIPILFWXSMYKGL-UHFFFAOYSA-N	1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1	CC(=O)OCC[N+](C)(C)C	Acetylcholine 
HMDB00508	C5H12O5	152.0684735	HEBKCHPVOIAQTA-ZXFHETKHSA-N	1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5-	OC[C@H](O)[C@H](O)[C@H](O)CO	Ribitol
HMDB00062	C7H15NO3	161.1051934	PHIQHXFUZVPYII-ZCFIWIBFSA-N	1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1	C[N+](C)(C)C[C@H](O)CC([O-])=O	L-Carnitine
HMDB01431	C8H12N2O2	168.0898776	NHZMQXZHNVQTQA-UHFFFAOYSA-N	1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3	CC1=C(O)C(CN)=C(CO)C=N1	Pyridoxamine
HMDB00517	C6H14N4O2	174.1116757	ODKSFYDXXFIFQN-BYPYZUCNSA-N	1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1	N[C@@H](CCCN=C(N)N)C(O)=O	L-Arginine
HMDB00169	C6H12O6	180.0633881	WQZGKKKJIJFFOK-QTVWNMPRSA-N	1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1	OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O	D-Mannose
HMDB01866	C8H8O5	184.0371734	RGHMISIYKIHAJW-UHFFFAOYSA-N	1S/C8H8O5/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,9-11H,(H,12,13)	OC(C(O)=O)C1=CC=C(O)C(O)=C1	3,4-Dihydroxymandelic acid
HMDB29965	C7H14O6	194.0790382	HOVAGTYPODGVJG-UHFFFAOYNA-N	1/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3	COC1OC(CO)C(O)C(O)C1O	Methyl beta-D-glucopyranoside
HMDB01511	C4H10N3O5P	211.035807	DRBBFCLWYRJSJZ-UHFFFAOYSA-N	1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)	CN(CC(O)=O)C(=N)NP(O)(O)=O	Phosphocreatine
HMDB01389	C13H16N2O2	232.1211778	DRLFMBDRBRZALE-UHFFFAOYSA-N	1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	COC1=CC2=C(NC=C2CCNC(C)=O)C=C1	Melatonin
HMDB00645	C6H13O9P	260.0297185	HXXFSFRBOHSIMQ-FPRJBGLDSA-N	1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5-,6-/m1/s1	OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@H]1O	Galactose 1-phosphate
HMDB00827	C18H36O2	284.2715304	QIQXTHQIDYTFRH-UHFFFAOYSA-N	1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)	CCCCCCCCCCCCCCCCCC(O)=O	Stearic acid
HMDB11616	C10H12N5O6P	329.0525197	KMYWVDDIPVNLME-UHFFFAOYSA-N	1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)19-10)20-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)	NC1=NC=NC2=C1N=CN2C1OC(CO)C2OP(O)(=O)OC12	Adenosine 2',3'-cyclic phosphate
HMDB03572	C18H16O8	360.0845175	DOUMFZQKYFQNTF-WUTVXBCWSA-N	1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1	OC(=O)[C@@H](CC1=CC(O)=C(O)C=C1)OC(=O)\C=C\C1=CC(O)=C(O)C=C1	Rosmarinic acid
HMDB00619	C24H40O5	408.2875744	BHQCQFFYRZLCQQ-OELDTZBJSA-N	1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)=O	Cholic acid
HMDB01191	C9H15N2O14P3	467.9736127	AHCYMLUZIRLXAA-SHYZEUOFSA-N	1S/C9H15N2O14P3/c12-5-3-8(11-2-1-7(13)10-9(11)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,20,21)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1	O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O	Deoxyuridine triphosphate
HMDB30017	C41H56O2	580.428031	PFRQBZFETXBLTP-RCIYGOBDSA-N	1S/C41H56O2/c1-30(2)16-11-17-31(3)18-12-19-32(4)20-13-21-33(5)22-14-23-34(6)24-15-25-35(7)28-29-37-36(8)40(42)38-26-9-10-27-39(38)41(37)43/h9-10,16,18,20,22,24,26-28H,11-15,17,19,21,23,25,29H2,1-8H3/b31-18+,32-20+,33-22+,34-24+,35-28+	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=C(C)C(=O)C2=CC=CC=C2C1=O	Vitamin K2
HMDB01423	C21H36N7O16P3S	767.1152084	RGJOEKWQDUBAIZ-DRCCLKDXSA-N	1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16?,20-/m1/s1	CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCS	Coenzyme A
HMDB01051	C3H6O3	90.03169406	MNQZXJOMYWMBOU-UHFFFAOYSA-N	1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2	OCC(O)C=O	Glyceraldehyde
HMDB00187	C3H7NO3	105.0425931	MTCFGRXMJLQNBG-REOHCLBHSA-N	1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1	N[C@@H](CO)C(O)=O	L-Serine
HMDB00310	C5H8O3	116.0473441	WRQNANDWMGAFTP-UHFFFAOYSA-N	1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3	COC(=O)CC(C)=O	Methylacetoacetic acid
HMDB12275	C8H11N	121.0891494	BHHGXPLMPWCGHP-UHFFFAOYSA-N	1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2	NCCC1=CC=CC=C1	Phenylethylamine
HMDB00070	C6H11NO2	129.0789786	HXEACLLIILLPRG-UHFFFAOYSA-N	1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)	OC(=O)C1CCCCN1	Pipecolic acid
HMDB00576	C5H8O4	132.0422587	HGINADPHJQTSKN-UHFFFAOYSA-N	1S/C5H8O4/c1-2-9-5(8)3-4(6)7/h2-3H2,1H3,(H,6,7)	CCOC(=O)CC(O)=O	Monoethyl malonic acid
HMDB01895	C7H6O3	138.0316941	YGSDEFSMJLZEOE-UHFFFAOYSA-N	1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)	OC(=O)C1=CC=CC=C1O	Salicylic acid
HMDB01161	C7H16NO2	146.1181038	JHPNVNIEXXLNTR-UHFFFAOYSA-O	1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3/p+1	C[N+](C)(C)CCCC(O)=O	4-Trimethylammoniobutanoic acid
HMDB01851	C5H12O5	152.0684735	HEBKCHPVOIAQTA-IMJSIDKUSA-N	1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m0/s1	OC[C@H](O)C(O)[C@@H](O)CO	L-Arabitol
HMDB01010	C10H13N2	161.1078734	GTQXYYYOJZZJHL-UHFFFAOYSA-N	1S/C10H13N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6-8,10H,3,5H2,1H3/q+1	C[N+]1=CCCC1C1=CC=CN=C1	Nicotine imine
HMDB02757	C3H7NO5S	169.004493	XVOYSCVBGLVSOL-UHFFFAOYSA-N	1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)	NC(CS(O)(=O)=O)C(O)=O	Cysteic acid
HMDB04370	C11H14N2	174.1156985	NCIKQJBVUNUXLW-UHFFFAOYSA-N	1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3	CNCCC1=CNC2=CC=CC=C12	N-Methyltryptamine
HMDB00211	C6H12O6	180.0633881	CDAISMWEOUEBRE-GPIVLXJGSA-N	1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-	O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O	Myoinositol
HMDB01565	C5H15NO4P	184.0738695	YHHSONZFOIEMCP-UHFFFAOYSA-O	1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1	C[N+](C)(C)CCOP(O)(O)=O	Phosphorylcholine
HMDB01847	C8H10N4O2	194.0803756	RYYVLZVUVIJVGH-UHFFFAOYSA-N	1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3	CN1C=NC2=C1C(=O)N(C)C(=O)N2C	Caffeine
HMDB01434	C10H13NO4	211.0844579	PFDUUKDQEHURQC-UHFFFAOYSA-N	1S/C10H13NO4/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14/h2-3,5,7,12H,4,11H2,1H3,(H,13,14)	COC1=CC(CC(N)C(O)=O)=CC=C1O	3-Methoxytyrosine
HMDB00192	C6H12N2O4S2	240.0238483	LEVWYRKDKASIDU-IMJSIDKUSA-N	1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1	N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O	L-Cystine
HMDB01401	C6H13O9P	260.0297185	NBSCHQHZLSJFNQ-GASJEMHNSA-N	1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1	OC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O	Glucose 6-phosphate
HMDB00305	C20H30O	286.2296656	FPIPGXGPPPQFEQ-OVSJKPMPSA-N	1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+	C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C	Vitamin A
HMDB00905	C10H14N5O6P	331.0681697	KHWCHTKSEGGWEX-RRKCRQDMSA-N	1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1	NC1=NC=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1	Deoxyadenosine monophosphate
HMDB02802	C21H28O5	360.193674	MFYSYFVPBJMHGN-ZPOLXVRWSA-N	1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1	[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	Cortisone
HMDB00256	C30H50	410.3912516	YYGNTYWPHWGJRM-FLHYQJCXSA-N	1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23-,30-24+	CC(C)=CCC\C(C)=C/CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC=C(C)C	Squalene
HMDB00082	C9H16N3O14P3	482.9845118	PCDQPRRSZKQHHS-XVFCMESISA-N	1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1	NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O	Cytidine triphosphate
HMDB01008	C33H34N4O6	582.2478348	RCNSAJSGRJSBKK-YKSNQIBWSA-N	1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,34-35H,1-2,9-12H2,3-6H3,(H,37,42)(H,38,39)(H,40,41)/b24-13+,27-14-,28-15-	CC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(N1)\C=C1/N\C(=C\C2=NC(=O)C(C=C)=C2C)C(C)=C1CCC(O)=O	Biliverdin
HMDB00248	C15H11I4NO4	776.6866815	XUIIKFGFIJCVMT-LBPRGKRZSA-N	1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1	N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O	Thyroxine
HMDB33007	C4H10O2	90.06807956	OWBTYPJTUOEWEK-QWWZWVQMSA-N	1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1	C[C@@H](O)[C@@H](C)O	(2R,3R)-2,3-Butanediol
HMDB04437	C4H11NO2	105.0789786	ZBCBWPMODOFKDW-UHFFFAOYSA-N	1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2	OCCNCCO	Diethanolamine
HMDB00535	C6H12O2	116.0837296	FUZZWVXGSFPDMH-UHFFFAOYSA-N	1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)	CCCCCC(O)=O	Caproic acid
HMDB01870	C7H6O2	122.0367794	WPYMKLBDIGXBTP-UHFFFAOYSA-N	1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)	OC(=O)C1=CC=CC=C1	Benzoic acid
HMDB00716	C6H11NO2	129.0789786	HXEACLLIILLPRG-YFKPBYRVSA-N	1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1	OC(=O)[C@@H]1CCCCN1	L-Pipecolic acid
HMDB00622	C5H8O4	132.0422587	UKFXDFUAPNAMPJ-UHFFFAOYSA-N	1S/C5H8O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3,(H,6,7)(H,8,9)	CCC(C(O)=O)C(O)=O	Ethylmalonic acid
HMDB02466	C7H6O3	138.0316941	IJFXRHURBJZNAO-UHFFFAOYSA-N	1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)	OC(=O)C1=CC(O)=CC=C1	3-Hydroxybenzoic acid
HMDB00148	C5H9NO4	147.0531578	WHUUTDBJXJRKMK-VKHMYHEASA-N	1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	N[C@@H](CCC(O)=O)C(O)=O	L-Glutamic acid
HMDB02917	C5H12O5	152.0684735	HEBKCHPVOIAQTA-NGQZWQHPSA-N	1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5?	OC[C@H](O)C(O)[C@H](O)CO	D-Xylitol
HMDB00355	C6H10O5	162.0528234	NPOAOTPXWNWTSH-UHFFFAOYSA-N	1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)	CC(O)(CC(O)=O)CC(O)=O	3-Hydroxymethylglutaric acid
HMDB00216	C8H11NO3	169.0738932	SFLSHLFXELFNJZ-QMMMGPOBSA-N	1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1	NC[C@H](O)C1=CC(O)=C(O)C=C1	Norepinephrine
HMDB00812	C6H9NO5	175.0480724	OTCCIMWXFLJLIA-BYPYZUCNSA-N	1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1	CC(=O)N[C@@H](CC(O)=O)C(O)=O	N-Acetyl-L-aspartic acid
HMDB00660	C6H12O6	180.0633881	RFSUNEUAIZKAJO-ARQDHWQXSA-N	1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1	OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O	D-Fructose
HMDB00272	C3H8NO6P	185.0089235	BZQFBWGGLXLEPQ-REOHCLBHSA-N	1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1	N[C@@H](COP(O)(O)=O)C(O)=O	Phosphoserine
HMDB00625	C6H12O7	196.0583027	RGHNJXZEOKUKBD-SQOUGZDYSA-N	1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1	OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O	Gluconic acid
HMDB00682	C8H7NO4S	213.0095784	BXFFHSIDQOFMLE-UHFFFAOYSA-N	1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12)	OS(=O)(=O)OC1=CNC2=CC=CC=C12	Indoxyl sulfate
HMDB00194	C10H16N4O3	240.1222404	MYYIAHXIVFADCU-QMMMGPOBSA-N	1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1	CN1C=NC=C1C[C@H](NC(=O)CCN)C(O)=O	Anserine
HMDB01586	C6H13O9P	260.0297185	HXXFSFRBOHSIMQ-GASJEMHNSA-N	1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1	OC[C@H]1OC(OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O	Glucose 1-phosphate
HMDB05765	C11H19N3O6	289.1273854	JCMUOFQHZLPHQP-BQBZGAKWSA-N	1S/C11H19N3O6/c1-2-7(10(18)13-5-9(16)17)14-8(15)4-3-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1	CC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O	Ophthalmic acid
HMDB00229	C11H15N2O8P	334.056602	DAYLJWODMCOQEW-TURQNECASA-N	1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/t7-,8-,9-,11-/m1/s1	NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O	Nicotinamide ribotide
HMDB00063	C21H30O5	362.2093241	JYGXADMDTFJGBT-CZFMHFDVSA-N	1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21+/m0/s1	[H][C@@]12CC[C@@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	Cortisol
HMDB01508	C10H15N5O9P2	411.0345001	DAEAPNUQQAICNR-GFCOJPQKSA-N	1S/C10H15N5O9P2/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(23-7)2-22-26(20,21)24-25(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7?/m0/s1	NC1=NC=NC2=C1N=CN2C1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O1	dADP
HMDB00722	C26H45NO5S	483.3018442	QBYUNVOYXHFVKC-LVMSMGIASA-N	1S/C26H45NO5S/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32)/t17-,18?,19-,20?,21?,22?,23?,25+,26-/m1/s1	C[C@H](CCC(=O)NCCS(O)(=O)=O)C1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C	Lithocholyltaurine
HMDB00054	C33H36N4O6	584.2634849	BPYKTIZUTYGOLE-IFADSCNNSA-N	1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-	CC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(O)=O)C(C)=C(N2)\C=C2/NC(=O)C(C=C)=C2C)N1	Bilirubin
HMDB01248	C27H33N9O15P2	785.1571345	VWWQXMAJTJZDQX-UYBVJOGSSA-N	1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2	FAD
HMDB00131	C3H8O3	92.04734412	PEDCQBHIVMGVHV-UHFFFAOYSA-N	1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2	OCC(O)CO	Glycerol
HMDB00139	C3H6O4	106.0266087	RBNPOMFGQQGHHO-UWTATZPHSA-N	1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m1/s1	OC[C@@H](O)C(O)=O	Glyceric acid
HMDB02287	C4H7NOS	117.0248345	KIWQWJKWBHZMDT-UHFFFAOYSA-N	1S/C4H7NOS/c5-3-1-2-7-4(3)6/h3H,1-2,5H2	NC1CCSC1=O	Homocysteine thiolactone
HMDB11718	C7H6O2	122.0367794	RGHHSNMVTDWUBI-UHFFFAOYSA-N	1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H	OC1=CC=C(C=O)C=C1	4-Hydroxybenzaldehyde
HMDB00634	C5H6O4	130.0266087	HNEGQIOMVPPMNR-IHWYPQMZSA-N	1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2-	C\C(=C\C(O)=O)C(O)=O	Citraconic acid
HMDB00661	C5H8O4	132.0422587	JFCQEDHGNNZCLN-UHFFFAOYSA-N	1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)	OC(=O)CCCC(O)=O	Glutaric acid
HMDB00301	C6H6N2O2	138.0429274	LOIYMIARKYCTBW-OWOJBTEDSA-N	1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+	OC(=O)\C=C\C1=CNC=N1	Urocanic acid
HMDB02393	C5H9NO4	147.0531578	HOKKHZGPKSLGJE-GSVOUGTGSA-N	1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1	CN[C@H](CC(O)=O)C(O)=O	N-Methyl-D-aspartic acid
HMDB00996	C3H7NO4S	153.0095784	WVMUCBHSEHBMKA-REOHCLBHSA-N	1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2,9H,1,4H2,(H,5,6)/t2-/m0/s1	N[C@@H](CS(=O)=O)C(O)=O	3-Sulfinoalanine
HMDB00450	C6H14N2O3	162.1004423	YSMODUONRAFBET-UHNVWZDZSA-N	1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1	NC[C@H](O)CC[C@H](N)C(O)=O	5-Hydroxylysine
HMDB00239	C8H11NO3	169.0738932	LXNHXLLTXMVWPM-UHFFFAOYSA-N	1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3	CC1=NC=C(CO)C(CO)=C1O	Pyridoxine
HMDB03157	C5H9N3O4	175.0593058	VVHOUVWJCQOYGG-REOHCLBHSA-N	1S/C5H9N3O4/c6-5(7)8-2(4(11)12)1-3(9)10/h2H,1H2,(H,9,10)(H,11,12)(H4,6,7,8)/t2-/m0/s1	NC(=N)N[C@@H](CC(O)=O)C(O)=O	Guanidinosuccinic acid
HMDB01151	C6H12O6	180.0633881	WQZGKKKJIJFFOK-HOWGCPQDSA-N	1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6?/m0/s1	[H][C@@]1(CO)OC(O)[C@@]([H])(O)[C@@]([H])(O)[C@@]1([H])O	Allose
HMDB01721	C3H8NO6P	185.0089235	BZQFBWGGLXLEPQ-UHFFFAOYSA-N	1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)	NC(COP(O)(O)=O)C(O)=O	DL-O-Phosphoserine
HMDB03966	C5H11NO2Se	196.9955004	RJFAYQIBOAGBLC-UHFFFAOYSA-N	1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)	C[Se]CCC(N)C(O)=O	Selenomethionine
HMDB03581	C10H18N2O3	214.1317425	AUTOLBMXDDTRRT-JGVFFNPUSA-N	1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/t7-,8+/m0/s1	C[C@@H]1NC(=O)N[C@@H]1CCCCCC(O)=O	Dethiobiotin
HMDB00273	C10H14N2O5	242.0902716	IQFYYKKMVGJFEH-XLPZGREQSA-N	1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1	CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O	Thymidine
HMDB00235	C12H17N4OS	265.1123069	JZRWCGZRTZMZEH-UHFFFAOYSA-N	1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1	CC1=C(CCO)SC=[N+]1CC1=C(N)N=C(C)N=C1	Thiamine
HMDB01173	C11H15N5O3S	297.0895601	WUUGFSXJNOTRMR-IOSLPCCCSA-N	1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1	CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N	5'-Methylthioadenosine
HMDB01085	C20H32O4	336.2300595	VNYSSYRCGWBHLG-AMOLWHMGSA-N	1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1	CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O	Leukotriene B4
HMDB01397	C10H14N5O8P	363.057999	RQFCJASXJCIDSX-UUOKFMHZSA-N	1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1	NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1	Guanosine monophosphate
HMDB01372	C12H19N4O7P2S	425.0449677	AYEKOFBPNLCAJY-UHFFFAOYSA-O	1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1	CC1=C(CCO[P@](O)(=O)OP(O)(O)=O)SC=[N+]1CC1=CN=C(C)N=C1N	Thiamine pyrophosphate
HMDB00285	C9H15N2O15P3	483.9685274	PGAVKCOVUIYSFO-XVFCMESISA-N	1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1	O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O	Uridine triphosphate
HMDB06557	C16H25N5O15P2	589.0822382	WFPZSXYXPSUOPY-ROYWQJLOSA-N	1S/C16H25N5O15P2/c17-13-7-14(19-3-18-13)21(4-20-7)15-11(26)9(24)6(33-15)2-32-37(28,29)36-38(30,31)35-16-12(27)10(25)8(23)5(1-22)34-16/h3-6,8-12,15-16,22-27H,1-2H2,(H,28,29)(H,30,31)(H2,17,18,19)/t5-,6-,8-,9-,10+,11-,12-,15-,16-/m1/s1	NC1=C2N=CN([C@@H]3O[C@H](CO[P@](O)(=O)O[P@](O)(=O)O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1	ADP-glucose
HMDB05356	C51H98O6	806.7363409	PVNIQBQSYATKKL-UHFFFAOYSA-N	1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	TG(16:0/16:0/16:0)[iso]
HMDB03012	C6H7N	93.05784923	PAYRUJLWNCNPSJ-UHFFFAOYSA-N	1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2	NC1=CC=CC=C1	Aniline
HMDB06115	C7H6O	106.0418648	HUMNYLRZRPPJDN-UHFFFAOYSA-N	1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H	O=CC1=CC=CC=C1	Benzaldehyde
HMDB00532	C4H7NO3	117.0425931	OKJIRPAQVSHGFK-UHFFFAOYSA-N	1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)	CC(=O)NCC(O)=O	Acetylglycine
HMDB01406	C6H6N2O	122.0480128	DFPAKSUCGFBDDF-UHFFFAOYSA-N	1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)	NC(=O)C1=CN=CC=C1	Niacinamide
HMDB02092	C5H6O4	130.0266087	LVHBHZANLOWSRM-UHFFFAOYSA-N	1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)	OC(=O)CC(=C)C(O)=O	Itaconic acid
HMDB00026	C4H8N2O3	132.0534921	JSJWCHRYRHKBBW-UHFFFAOYSA-N	1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)	NC(=O)NCCC(O)=O	Ureidopropionic acid
HMDB02658	C6H5NO3	139.026943	BLHCMGRVFXRYRN-UHFFFAOYSA-N	1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10)	OC(=O)C1=CN=C(O)C=C1	6-Hydroxynicotinic acid
HMDB02931	C5H9NO4	147.0531578	JJIHLJJYMXLCOY-BYPYZUCNSA-N	1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)/t4-/m0/s1	CC(=O)N[C@@H](CO)C(O)=O	N-Acetylserine
HMDB01476	C7H7NO3	153.0425931	WJXSWCUQABXPFS-UHFFFAOYSA-N	1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)	NC1=C(O)C=CC=C1C(O)=O	3-Hydroxyanthranilic acid
HMDB01890	C5H9NO3S	163.0303138	PWKSKIMOESPYIA-BYPYZUCNSA-N	1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1	CC(=O)N[C@@H](CS)C(O)=O	Acetylcysteine
HMDB01537	C8H11NO3	169.0738932	DIVDFFZHCJEHGG-UHFFFAOYSA-N	1S/C8H11NO3/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3-4,10-12H,1-2,9H2	NCCC1=C(O)C=C(O)C(O)=C1	6-Hydroxydopamine
HMDB00197	C10H9NO2	175.0633285	SEOVTRFCIGRIMH-UHFFFAOYSA-N	1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)	OC(=O)CC1=CNC2=C1C=CC=C2	Indoleacetic acid
HMDB01266	C6H12O6	180.0633881	LKDRXBCSQODPBY-BGPJRJDNSA-N	1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6+/m0/s1	OC[C@@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O	L-Sorbose
HMDB00362	C3H7O7P	185.9929391	GXIURPTVHJPJLF-UHFFFAOYSA-N	1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)	OCC(OP(O)(O)=O)C(O)=O	2-Phosphoglyceric acid
HMDB00181	C9H11NO4	197.0688078	WTDRDQBEARUVNC-LURJTMIESA-N	1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1	N[C@@H](CC1=CC(O)=C(O)C=C1)C(O)=O	L-Dopa
HMDB02059	C12H24O3	216.1725446	ZDHCZVWCTKTBRY-UHFFFAOYSA-N	1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15)	OCCCCCCCCCCCC(O)=O	12-Hydroxydodecanoic acid
HMDB03424	C16H34O	242.2609657	BXWNKGSJHAJOGX-UHFFFAOYSA-N	1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3	CCCCCCCCCCCCCCCCO	1-Hexadecanol
HMDB01294	C3H8O10P2	265.9592695	XOHUEYCVLUUEJJ-UWTATZPHSA-N	1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1	OC(=O)[C@@H](COP(O)(O)=O)OP(O)(O)=O	2,3-Diphosphoglyceric acid
HMDB01852	C20H28O2	300.2089301	SHGAZHPCJJPHSC-YCNIQYBTSA-N	1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+	C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O	All-trans-retinoic acid
HMDB01517	C9H15N4O8P	338.06275	NOTGFIUVDGNKRI-UUOKFMHZSA-N	1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1	NC(=O)C1=C(N)N(C=N1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O	AICAR
HMDB02368	C24H46O2	366.3497807	GWHCXVQVJPWHRF-KTKRTIGZSA-N	1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h9-10H,2-8,11-23H2,1H3,(H,25,26)/b10-9-	CCCCCCCC\C=C/CCCCCCCCCCCCCC(O)=O	Nervonic acid
HMDB01251	C30H50O	426.3861662	CAHGCLMLTWQZNJ-BQNIITSRSA-N	1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1	[H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C	Lanosterin
HMDB01413	C14H26N4O11P2	488.1073307	RZZPDXZPRHQOCG-OJAKKHQRSA-N	1S/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/t9-,11-,12-,13-/m1/s1	C[N+](C)(C)CCOP([O-])(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O	Citicoline
HMDB01163	C16H25N5O16P2	605.0771528	MVMSCBBUIHUTGJ-GDJBGNAASA-N	1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5-,7-,8-,9+,10-,11+,14-,15-/m1/s1	NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C(=O)N1	Guanosine diphosphate mannose
HMDB01493	C26H42N7O17P3S	849.1570732	BXIPALATIYNHJN-TVCSPYKZSA-N	1S/C26H42N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h9,12-13,15,19-21,25,36-37H,5-8,10-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20-,21?,25-/m1/s1	CC(C)=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	3-Methylcrotonyl-CoA