小分子和化合物库
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苦参碱CAS号: 519-02-8分子式: C15H24N2O 分子量: 248.36IUPAC Name: (1R,2R,9S,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-oneSMILES: C1CC2C3CCCN4C3C(CCC4)CN2C(=O)C1InChIKey: ZSBXGIUJOOQZMP-JLNYLFASSA-NInChI: 1S/C15H24N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-/m0/s1
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羟基积雪草酸CAS号: 18449-41-7分子式: C30H48O6 分子量: 504.71IUPAC Name: (1S,2R,4aS,6aR,6aS,6bR,8R,8aR,9R,10R,11R,12aR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acidSMILES: CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(CC(C(C5(C)CO)O)O)C)O)C)C2C1C)C)C(=O)OInChIKey: PRAUVHZJPXOEIF-AOLYGAPISA-NInChI: See more
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木兰脂素CAS号: 31008-18-1分子式: C23H28O7 分子量: 416.46IUPAC Name: (3S,3aR,6S,6aR)-3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furanSMILES: COC1=C(C=C(C=C1)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)OC)OC)OCInChIKey: MFIHSKBTNZNJIK-RZTYQLBFSA-NInChI: 1S/C23H28O7/c1-24-17-7-6-13(8-18(17)25-2)21-15-11-30-22(16(15)12-29-21)14-9-19(26-3)23(28-5)20(10-14)27-4/h6-10,15-16,21-22H,11-12H2,1-5H3/t15-,16-,21+,22+/m0/s1
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柚皮素分子式: C15H12O5 分子量: 272.25IUPAC Name: (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-oneSMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)OInChIKey: FTVWIRXFELQLPI-ZDUSSCGKSA-NInChI: 1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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甲基莲心碱CAS号: 2292-16-2分子式: C38H44N2O6 分子量: 624.77IUPAC Name: 4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[[(1R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenolSMILES: CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC)O)OCInChIKey: MIBATSHDJRIUJK-ROJLCIKYSA-NInChI: See more
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诺米林CAS号: 1063-77-0分子式: C28H34O9 分子量: 514.56IUPAC Name: [(1R,2R,4S,7S,8S,11R,12R,13S,18R)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosan-13-yl] acetateSMILES: CC(=O)OC1CC(=O)OC(C2C1(C3CCC4(C(OC(=O)C5C4(C3(C(=O)C2)C)O5)C6=COC=C6)C)C)(C)CInChIKey: KPDOJFFZKAUIOE-WNGDLQANSA-NInChI: See more
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冬凌草甲素CAS号: 28957-04-2分子式: C20H28O6 分子量: 364.43IUPAC Name: (1S,2S,5S,8R,9S,10S,11R,15S,18R)-9,10,15,18-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-oneSMILES: CC1(CCC(C23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)O)CInChIKey: SDHTXBWLVGWJFT-XKCURVIJSA-NInChI: 1S/C20H28O6/c1-9-10-4-5-11-18-8-26-20(25,19(11,14(9)22)15(10)23)16(24)13(18)17(2,3)7-6-12(18)21/h10-13,15-16,21,23-25H,1,4-8H2,2-3H3/t10-,11-,12-,13+,15+,16-,18+,19-,20+/m0/s1
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贝母素甲CAS号: 23496-41-5分子式: C27H45NO3 分子量: 431.65IUPAC Name: (1R,2S,6S,9S,10S,11S,14S,15S,17S,18S,20S,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triolSMILES: CC1CCC2C(C3CCC4C(C3CN2C1)CC5C4CC(C6C5(CCC(C6)O)C)O)(C)OInChIKey: IUKLSMSEHKDIIP-BZMYINFQSA-NInChI: See more
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拟人参皂苷F11CAS号: 69884-00-0分子式: C42H72O14 分子量: 801.01IUPAC Name: See moreSMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CC4(C(CC(C5C4(CCC5C6(CCC(O6)C(C)(C)O)C)C)O)C7(C3C(C(CC7)O)(C)C)C)C)CO)O)O)O)O)OInChIKey: JBGYSAVRIDZNKA-NKECSCAMSA-NInChI: See more
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重楼皂甙BCAS号: 50773-42-7分子式: C51H82O20 分子量: 1015.18IUPAC Name: See moreSMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)OC9C(C(C(C(O9)C)O)O)O)O)O)O)OC2C(C(C(C(O2)C)O)O)O)C)C)C)OC1InChIKey: OZIHYFWYFUSXIS-UHFFFAOYSA-NInChI: See more
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