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SMILES: Cc1c2c(cc(c1C(=O)[O-])O)C(=O)c1c(c(c(c(c1[O-])O)[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C2=O.Cc1c2c(cc(c1C(=O)[O-])O)C(=O)c1c(c(c(c(c1[O-])O)[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C2=O.O.O.O.[OH-].[AlH3+3].[Ca+2] Canonical SMILES: OC[C@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)c2c(c(c1O)[O-])C(=O)c1c(C2=O)c(C)c(c(c1)O)C(=O)[O-].OC[C@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)c2c(c(c1O)[O-])C(=O)c1c(C2=O)c(C)c(c(c1)O)C(=O)[O-].O.O.O.[OH-].[AlH3+3].[Ca+2] InChI: InChI=1S/2C22H20O13.Al.Ca.4H2O/c2*1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21;;;;;;/h2*2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34);;;4*1H2/q;;+3;+2;;;;/p-5/t2*7-,14-,19+,20-,21-;;;;;;/m11....../s1 InChIKey: LKLFEXHJCKYXIF-YWNQXZAMSA-I
CBID:295425 http://www.chembase.cn/molecule-295425.html