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小分子和化合物库
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脱氧基新隐丹参酮CAS号: 27468-20-8 Compound CID : 15690458IUPAC Name: 1-hydroxy-8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dioneSMILES: CC(C)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)OInChIKey: UPLOJIODCUTBOZ-UHFFFAOYSA-NInChI: 1S/C19H22O3/c1-10(2)14-16(20)12-7-8-13-11(6-5-9-19(13,3)4)15(12)18(22)17(14)21/h7-8,10,20H,5-6,9H2,1-4H3
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脱羰秋水仙碱分子式: C21H25NO5 分子量: 371.43IUPAC Name: (7S)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-oneSMILES: CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OCInChIKey: NNJPGOLRFBJNIW-HNNXBMFYSA-NInChI: 1S/C21H25NO5/c1-22-15-8-6-12-10-18(25-3)20(26-4)21(27-5)19(12)13-7-9-17(24-2)16(23)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3/t15-/m0/s1
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甘草宁GCAS号: 126716-34-5 Compound CID : 480780IUPAC Name: 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)chromen-4-oneSMILES: CC(=CCC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)OC)CInChIKey: WLPHLDLTTPUDSI-UHFFFAOYSA-NInChI: 1S/C21H20O5/c1-12(2)4-9-15-17(25-3)10-18-19(20(15)23)21(24)16(11-26-18)13-5-7-14(22)8-6-13/h4-8,10-11,22-23H,9H2,1-3H3
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日耳曼醇IUPAC Name: (3S,4aR,6aS,6aR,6bR,8aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicen-3-olSMILES: CC1(CCC2(CCC3(C(C2=C1)CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C)C)CInChIKey: QMUXVPRGNJLGRT-PNTWTTAKSA-NInChI: 1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h19-20,22-24,31H,9-18H2,1-8H3/t20-,22+,23-,24+,27-,28+,29-,30-/m1/s1
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7-O-甲基汉黄芩素分子式: C17H14O5 分子量: 298.29IUPAC Name: 5-hydroxy-7,8-dimethoxy-2-phenylchromen-4-oneSMILES: COC1=C(C2=C(C(=C1)O)C(=O)C=C(O2)C3=CC=CC=C3)OCInChIKey: IHLSBQVBFDTNTC-UHFFFAOYSA-NInChI: 1S/C17H14O5/c1-20-14-9-12(19)15-11(18)8-13(10-6-4-3-5-7-10)22-17(15)16(14)21-2/h3-9,19H,1-2H3
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鹅掌楸树脂酚B二甲醚CAS号: 13060-14-5 Compound CID : 443028IUPAC Name: (3S,3aR,6S,6aR)-3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furanSMILES: COC1=CC(=CC(=C1OC)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)OC)OCInChIKey: HRLFUIXSXUASEX-RZTYQLBFSA-NInChI: 1S/C24H30O8/c1-25-17-7-13(8-18(26-2)23(17)29-5)21-15-11-32-22(16(15)12-31-21)14-9-19(27-3)24(30-6)20(10-14)28-4/h7-10,15-16,21-22H,11-12H2,1-6H3/t15-,16-,21+,22+/m0/s1
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辛酰- L -肉碱CAS号: 25243-95-2分子式: C15H29NO4 分子量: 287.4SMILES: CCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)CInChIKey: CXTATJFJDMJMIY-CYBMUJFWSA-NInChI: 1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3/t13-/m1/s1
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鼠李素分子式: C16H12O7 分子量: 316.26IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxychromen-4-oneSMILES: COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)OInChIKey: JGUZGNYPMHHYRK-UHFFFAOYSA-NInChI: 1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3
