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小分子和化合物库
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MC 1046CAS号: 126860-83-1 Compound CID : 9547342分子式: C27H38O3 分子量: 410.59IUPAC Name: (E,4R)-4-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-cyclopropylpent-2-en-1-oneSMILES: CC(C=CC(=O)C1CC1)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)CInChIKey: KKDBQSPKXAUHPH-NRCQPIEOSA-NInChI: See more
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2-酮基-3-(甲基-d₃)-丁酸 acid-1,2,3,4-¹³C₄ 钠盐CAS号: 1215605-14-3分子式: 13CH313CH(CD3)13CO13CO2Na 分子量: 145.09SMILES: [Na+].[2H]C([2H])([2H])[13CH]([13CH3])[13C](=O)[13C]([O-])=OInChIKey: WIQBZDCJCRFGKA-SSBGHZRHSA-MInChI: 1S/C5H8O3.Na/c1-3(2)4(6)5(7)8;/h3H,1-2H3,(H,7,8);/q;+1/p-1/i1D3,2+1,3+1,4+1,5+1;
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丙酮二酸钠 一水合物分子式: C3H2Na2O6 分子量: 180.02IUPAC Name: disodium;2,2-dihydroxypropanedioateSMILES: C(=O)(C(C(=O)[O-])(O)O)[O-].[Na+].[Na+]InChIKey: HMBGDJCPFGQLIO-UHFFFAOYSA-LInChI: 1S/C3H4O6.2Na/c4-1(5)3(8,9)2(6)7;;/h8-9H,(H,4,5)(H,6,7);;/q;2*+1/p-2
