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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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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
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5香叶氧基-7-甲氧基香豆素IUPAC Name: 5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-methoxychromen-2-oneSMILES: CC(=CCCC(=CCOC1=CC(=CC2=C1C=CC(=O)O2)OC)C)CInChIKey: WXUOSNJWDJOHGW-XNTDXEJSSA-NInChI: 1S/C20H24O4/c1-14(2)6-5-7-15(3)10-11-23-18-12-16(22-4)13-19-17(18)8-9-20(21)24-19/h6,8-10,12-13H,5,7,11H2,1-4H3/b15-10+
