小分子和化合物库
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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)
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