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小分子和化合物库
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雌酮-2,3,4-¹³C₃CAS号: 1241684-29-6分子式: C1513C3H22O2 分子量: 273.34IUPAC Name: (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-oneSMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OInChIKey: DNXHEGUUPJUMQT-JTCDCFKFSA-NInChI: 1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1/i3+1,10+1,12+1
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顺式-尿苷酸-1,2,3-¹³C₃CAS号: 1173097-34-1分子式: 13C3C3H6N2O2 分子量: 141.10SMILES: O[13C](=O)\\[13CH]=[13CH]/c1c[nH]cn1InChIKey: LOIYMIARKYCTBW-BOHCNZJRSA-NInChI: 1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1-/i1+1,2+1,6+1
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视黄醇分子式: C20H30O 分子量: 286.45IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-olSMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)CInChIKey: FPIPGXGPPPQFEQ-OVSJKPMPSA-NInChI: 1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
