小分子和化合物库
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TNP 470CAS号 : 129298-91-5 Compound CID : 369976分子式: C19H28CINO6 分子量: 401.88IUPAC Name: [(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-(2-chloroacetyl)carbamateSMILES: CC(=CCC1C(O1)(C)C2C(C(CCC23CO3)OC(=O)NC(=O)CCl)OC)CInChIKey: MSHZHSPISPJWHW-PVDLLORBSA-NInChI: InChI=1S/C19H28ClNO6/c1-11(2)5-6-13-18(3,27-13)16-15(24-4)12(7-8-19(16)10-25-19)26-17(23)21-14(22)9-20/h5,12-13,15-16H,6-10H2,1-4H3,(H,21,22,23)/t12-,13-,15-,16-,18+,19+/m1/s1
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15-脱氧-Delta12CAS号 : 87893-55-8分子式: C20H28O3 分子量: 316.5IUPAC Name: (Z)-7-[(1S,5E)-5-[(E)-oct-2-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acidSMILES: CCCCCC=CC=C1C(C=CC1=O)CC=CCCCC(=O)OInChIKey: VHRUMKCAEVRUBK-GODQJPCRSA-NInChI: InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7-,10-6+,18-13+/t17-/m0/s1
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GW9662,PPARγ拮抗剂CAS号 : 22978-25-2 Compound CID : 644213分子式: C13H9ClN2O3 分子量: 276.68IUPAC Name: 2-chloro-5-nitro-N-phenylbenzamideSMILES: C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])ClInChIKey: DNTSIBUQMRRYIU-UHFFFAOYSA-NInChI: InChI=1S/C13H9ClN2O3/c14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-2-1-3-5-9/h1-8H,(H,15,17)
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Amorfrutin BCAS号 : 78916-42-4 Compound CID : 24739090分子式: C26H32O4 分子量: 408.53IUPAC Name: 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-4-methoxy-6-(2-phenylethyl)benzoic acidSMILES: CC(=CCCC(=CCC1=C(C=C(C(=C1O)C(=O)O)CCC2=CC=CC=C2)OC)C)CInChIKey: DKNIJLWIVUCTHW-CPNJWEJPSA-NInChI: InChI=1S/C26H32O4/c1-18(2)9-8-10-19(3)13-16-22-23(30-4)17-21(24(25(22)27)26(28)29)15-14-20-11-6-5-7-12-20/h5-7,9,11-13,17,27H,8,10,14-16H2,1-4H3,(H,28,29)/b19-13+
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