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Endogenous Metabolite
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麦芽糖浆CAS号 : 69-79-4分子式: C12H22O11 分子量: 342.3IUPAC Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triolSMILES: OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1OInChIKey: GUBGYTABKSRVRQ-QUYVBRFLSA-NInChI: InChI=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
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甲壳素分子式: （C8H13NO5 ）nIUPAC Name: N-[(2R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideSMILES: CC(=O)NC1C(C(C(OC1O)CO)O)OInChIKey: OVRNDRQMDRJTHS-WTZNIHQSSA-NInChI: InChI=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
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D-(+)-葡萄糖,无水分子式: C6H12O6 分子量: 180.16IUPAC Name: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanalSMILES: OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1OInChIKey: GZCGUPFRVQAUEE-SLPGGIOYSA-NInChI: InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1
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(+)-α-生育酚乙酸酯CAS号 : 58-95-7分子式: C31H52O3 分子量: 472.74IUPAC Name: [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] acetateSMILES: CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)C)CInChIKey: ZAKOWWREFLAJOT-CEFNRUSXSA-NInChI: InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31-/m1/s1
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(+)-α-生育酚CAS号 : 59-02-9分子式: C29H50O2 分子量: 430.72IUPAC Name: (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-olSMILES: CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)CInChIKey: GVJHHUAWPYXKBD-IEOSBIPESA-NInChI: InChI=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
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(−)-核黄素分子式: C17H20N4O6 分子量: 376.36IUPAC Name: 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dioneSMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)OInChIKey: AUNGANRZJHBGPY-SCRDCRAPSA-NInChI: InChI=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
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D -(+)-葡萄糖分子式: C6H12O6 分子量: 180.16IUPAC Name: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanalSMILES: OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1OInChIKey: GZCGUPFRVQAUEE-SLPGGIOYSA-NInChI: InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1
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D -泛酸 半钙盐分子式: C18H32CaN2O10 分子量: 476.54IUPAC Name: calcium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoateSMILES: CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.[Ca+2]InChIKey: FAPWYRCQGJNNSJ-UBKPKTQASA-LInChI: InChI=1S/2C9H17NO5.Ca/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;+2/p-2/t2*7-;/m00./s1
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