小分子和化合物库
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(R)-甲羟戊酸锂盐CAS号: 1255502-07-8分子式: C6H11LiO4 分子量: 154.09IUPAC Name: lithium;(3R)-3,5-dihydroxy-3-methylpentanoateSMILES: [Li+].CC(CCO)(CC(=O)[O-])OInChIKey: PVWNXFFXFNEHDZ-FYZOBXCZSA-MInChI: 1S/C6H12O4.Li/c1-6(10,2-3-7)4-5(8)9;/h7,10H,2-4H2,1H3,(H,8,9);/q;+1/p-1/t6-;/m1./s1
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5-氯-1H-吲唑-3-羧酸CAS号: 1077-95-8分子式: C8H5ClN2O2 分子量: 196.59IUPAC Name: 5-chloro-1H-indazole-3-carboxylic acidSMILES: C1=CC2=C(C=C1Cl)C(=NN2)C(=O)OInChIKey: WHAJIAULUPQHHZ-UHFFFAOYSA-NInChI: 1S/C8H5ClN2O2/c9-4-1-2-6-5(3-4)7(8(12)13)11-10-6/h1-3H,(H,10,11)(H,12,13)
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WAY-324284-ACAS号: 524676-05-9分子式: C20H23N3O3S 分子量: 385.48SMILES: COC1=CC=C(C=C1)[S](=O)(=O)N2CCN(CC2)CC3=C[NH]C4=C3C=CC=C4
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EurycomalactoneCAS号: 23062-24-0 Compound CID : 441793分子式: C19H24O6 分子量: 348.39IUPAC Name: (1S,2R,5S,9S,10S,11R,12R,13R,16R)-9,12-dihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadec-6-ene-3,8,15-trioneSMILES: CC1C2C(C3C4(C(CC(=O)C3(C1C(=O)O2)C)C(=CC(=O)C4O)C)C)OInChIKey: OGHYZHNTIINXEO-MGBQOKOWSA-NInChI: 1S/C19H24O6/c1-7-5-10(20)16(23)18(3)9(7)6-11(21)19(4)12-8(2)14(25-17(12)24)13(22)15(18)19/h5,8-9,12-16,22-23H,6H2,1-4H3/t8-,9+,12-,13+,14-,15-,16-,18+,19+/m1/s1
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核黄素磷酸钠分子式: C17H20N4NaO9P 分子量: 478.33IUPAC Name: sodium;[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphateSMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)[O-])O)O)O.[Na+]InChIKey: OHSHFZJLPYLRIP-BMZHGHOISA-MInChI: 1S/C17H21N4O9P.Na/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29;/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29);/q;+1/p-1/t11-,12+,14-;/m0./s1
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