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小分子和化合物库
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大黄素-d4CAS号: 132796-52-2分子式: C15H6D4O5 分子量: 274.26IUPAC Name: 1-deuterio-4,5,7-trihydroxy-2-(trideuteriomethyl)anthracene-9,10-dioneSMILES: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)OInChIKey: RHMXXJGYXNZAPX-MZCSYVLQSA-NInChI: 1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3/i1D3,2D
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(R)-(-)-泛酰内酯 β-D-吡喃葡萄糖苷CAS号: 171884-77-8分子量: 292.28SMILES: CC(C)([C@H]1O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)COC1=OInChIKey: BFCZPWYLRHFBNO-DTJAAUDXSA-NInChI: 1S/C12H20O8/c1-12(2)4-18-10(17)9(12)20-11-8(16)7(15)6(14)5(3-13)19-11/h5-9,11,13-16H,3-4H2,1-2H3/t5-,6-,7+,8-,9+,11+/m1/s1
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D-糖酸钙四水合物CAS号: 5793-89-5分子式: C6H8CaO8·4H2O 分子量: 320.3IUPAC Name: calcium;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate;tetrahydrateSMILES: C(C(C(C(=O)[O-])O)O)(C(C(=O)[O-])O)O.O.O.O.O.[Ca+2]InChIKey: ZQWFSIZRQANUDA-WQMSYZFBSA-LInChI: 1S/C6H10O8.Ca.4H2O/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;;;;;/h1-4,7-10H,(H,11,12)(H,13,14);;4*1H2/q;+2;;;;/p-2/t1-,2-,3-,4+;;;;;/m0...../s1
