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小分子和化合物库
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多糖苷CAS号: 5041-68-9分子式: C20H18O11 分子量: 434.35IUPAC Name: 3-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-oneSMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(O4)CO)O)O)O)OInChIKey: BDCDNTVZSILEOY-BQCJVYABSA-NInChI: 1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15-,17+,20+/m0/s1
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CarviolinCAS号: 478-35-3分子式: C16H12O6 分子量: 300.26IUPAC Name: 1,3-dihydroxy-6-(hydroxymethyl)-8-methoxyanthracene-9,10-dioneSMILES: COC1=CC(=CC2=C1C(=O)C3=C(C2=O)C=C(C=C3O)O)COInChIKey: XNMZBRJAWRIJII-UHFFFAOYSA-NInChI: 1S/C16H12O6/c1-22-12-3-7(6-17)2-9-14(12)16(21)13-10(15(9)20)4-8(18)5-11(13)19/h2-5,17-19H,6H2,1H3
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奇普卡辛ACAS号: 948573-97-5分子量: 464.42SMILES: O=C(C1=C(OC)C=C(OC)C=C1C)O[C@@H]2[C@H](O[C@H]([C@@H]2OC(C)=O)N(C(N3)=O)C=CC3=O)COInChIKey: MAWCJLLSYLMLHT-UTRMSSBJSA-NInChI: 1S/C21H24N2O10/c1-10-7-12(29-3)8-13(30-4)16(10)20(27)33-17-14(9-24)32-19(18(17)31-11(2)25)23-6-5-15(26)22-21(23)28/h5-8,14,17-19,24H,9H2,1-4H3,(H,22,26,28)/t14-,17-,18-,19-/m1/s1
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奇普卡辛HCAS号: 1136789-16-6分子式: C18H20N2O9 分子量: 408.36IUPAC Name: [(2R,3R,4R,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-hydroxy-2-methoxy-6-methylbenzoateSMILES: CC1=CC(=CC(=C1C(=O)OC2C(C(OC2N3C=CC(=O)NC3=O)CO)O)OC)OInChIKey: RARUJUZFKGDIOM-RAEVTNRLSA-NInChI: 1S/C18H20N2O9/c1-8-5-9(22)6-10(27-2)13(8)17(25)29-15-14(24)11(7-21)28-16(15)20-4-3-12(23)19-18(20)26/h3-6,11,14-16,21-22,24H,7H2,1-2H3,(H,19,23,26)/t11-,14-,15-,16-/m1/s1
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曲霉素酸CAS号: 19053-94-2分子式: C10H10O5 分子量: 210.18IUPAC Name: 2-(2-acetyl-3,5-dihydroxyphenyl)acetic acidSMILES: CC(=O)C1=C(C=C(C=C1O)O)CC(=O)OInChIKey: JAHPPWGWEUVLMS-UHFFFAOYSA-NInChI: 1S/C10H10O5/c1-5(11)10-6(3-9(14)15)2-7(12)4-8(10)13/h2,4,12-13H,3H2,1H3,(H,14,15)
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甘草甙BCAS号: 325144-72-7 Compound CID : 22297602分子式: C18H24O12 分子量: 432.38IUPAC Name: 3-hydroxy-3-methyl-5-oxo-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-methyl-4-oxopyran-3-yl)oxyoxan-2-yl]methoxy]pentanoic acidSMILES: CC1=C(C(=O)C=CO1)OC2C(C(C(C(O2)COC(=O)CC(C)(CC(=O)O)O)O)O)OInChIKey: WCVUIHQUPRXYKT-RGCIIANRSA-NInChI: 1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)/t10-,13-,14+,15-,17+,18?/m1/s1
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菊酯CAS号: 59170-17-1分子式: C18H18O8 分子量: 362.33IUPAC Name: methyl 2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoateSMILES: CC1=CC(=C(C(=C1)OC2=C(C=C(C=C2OC)O)C(=O)OC)C(=O)OC)OInChIKey: KYDNOVLBVBYOSW-UHFFFAOYSA-NInChI: 1S/C18H18O8/c1-9-5-12(20)15(18(22)25-4)13(6-9)26-16-11(17(21)24-3)7-10(19)8-14(16)23-2/h5-8,19-20H,1-4H3
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蒂拉文乙CAS号: 71950-67-9 Compound CID : 155686分子式: C31H34O10 分子量: 566.6IUPAC Name: 4-[4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-methoxy-3,5,6-trimethylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoic acidSMILES: CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2C)C)C(=O)OC3=C(C(=C(C(=C3C)C)C(=O)O)OC)C)OC)C)O)C)OInChIKey: UULGWGARYDGVBM-UHFFFAOYSA-NInChI: 1S/C31H34O10/c1-12-11-20(32)17(6)24(33)21(12)30(36)40-26-16(5)14(3)23(28(39-10)19(26)8)31(37)41-25-15(4)13(2)22(29(34)35)27(38-9)18(25)7/h11,32-33H,1-10H3,(H,34,35)
