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洋地黄毒苷分子式: C41H64O13 分子量: 764.94IUPAC Name: 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-oneSMILES: CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O)OC8)O)C)C)C)C)O)OInChIKey: WDJUZGPOPHTGOT-XUDUSOBPSA-NInChI: InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1
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巴龙霉素硫酸盐CAS号 : 1263-89-4分子式: C23H45N5O14·xH2SO4 分子量: 615.63 (free base basis)IUPAC Name: (2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;sulfuric acidSMILES: C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N.OS(=O)(=O)OInChIKey: LJRDOKAZOAKLDU-UDXJMMFXSA-NInChI: InChI=1S/C23H45N5O14.H2O4S/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22;1-5(2,3)4/h5-23,29-36H,1-4,24-28H2;(H2,1,2,3,4)/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+;/m1./s1
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丙酰-L-肉碱CAS号 : 20064-19-1 Compound CID : 188824分子式: C10H19NO4 分子量: 217.26IUPAC Name: (3R)-3-propanoyloxy-4-(trimethylazaniumyl)butanoateSMILES: CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)CInChIKey: UFAHZIUFPNSHSL-MRVPVSSYSA-NInChI: InChI=1S/C10H19NO4/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4/h8H,5-7H2,1-4H3/t8-/m1/s1
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异戊酰-L-肉碱CAS号 : 31023-24-2 Compound CID : 6426851分子式: C12H23NO4 分子量: 245.32IUPAC Name: 3-(3-methylbutanoyloxy)-4-(trimethylazaniumyl)butanoateSMILES: CC(C)CC(=O)OC(CC(=O)[O-])C[N+](C)(C)CInChIKey: IGQBPDJNUXPEMT-UHFFFAOYSA-NInChI: InChI=1S/C12H23NO4/c1-9(2)6-12(16)17-10(7-11(14)15)8-13(3,4)5/h9-10H,6-8H2,1-5H3
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月桂酰-L-肉碱CAS号 : 25518-54-1 Compound CID : 168381分子式: C19H37NO4 分子量: 343.5IUPAC Name: (3R)-3-dodecanoyloxy-4-(trimethylazaniumyl)butanoateSMILES: CCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)CInChIKey: FUJLYHJROOYKRA-QGZVFWFLSA-NInChI: InChI=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