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SMILES: Cc1c2c(cc(c1C(=O)O)O)C(=O)c1c(c(c(c(c1[O-])[O-])O[C@H]1[C@@H]([C@@H](C(C(O1)CO)O)O)O)O)C2=O.Cc1c2c(cc(c1C(=O)O)O)C(=O)c1c(c(c(c(c1[O-])[O-])O[C@@H]1[C@H]([C@H](C(C(O1)CO)O)O)O)O)C2=O.O.O.O.[OH-].[AlH3+3].[Ca+2] Canonical SMILES: OCC1O[C@@H](Oc2c(O)c3c(c(c2[O-])[O-])C(=O)c2c(C3=O)c(C)c(c(c2)O)C(=O)O)[C@@H]([C@@H](C1O)O)O.OCC1O[C@H](Oc2c(O)c3c(c(c2[O-])[O-])C(=O)c2c(C3=O)c(C)c(c(c2)O)C(=O)O)[C@H]([C@H](C1O)O)O.O.O.O.[OH-].[AlH3+3].[Ca+2] InChI: InChI=1S/2C22H20O14.Al.Ca.4H2O/c2*1-4-8-5(2-6(24)9(4)21(33)34)12(25)10-11(14(8)27)16(29)20(18(31)15(10)28)36-22-19(32)17(30)13(26)7(3-23)35-22;;;;;;/h2*2,7,13,17,19,22-24,26,28-32H,3H2,1H3,(H,33,34);;;4*1H2/q;;+3;+2;;;;/p-5/t2*7?,13?,17-,19-,22+;;;;;;/m10....../s1 InChIKey: VJSGYWWZERKXOY-NJKFWAEASA-I
CBID:295405 http://www.chembase.cn/molecule-295405.html