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小分子和化合物库
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DL-3-羟基丁酸(含高分子酯化产品)CAS号: 300-85-6分子式: C4H8O3 分子量: 104.11IUPAC Name: 3-hydroxybutanoic acidSMILES: CC(CC(=O)O)OInChIKey: WHBMMWSBFZVSSR-UHFFFAOYSA-NInChI: 1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)
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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+
