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SMILES: C([C@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O[Ca]OC[C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O.O Canonical SMILES: O[C@H]([C@H]1OC(=O)C(=C1O)O)CO[Ca]OC[C@H]([C@H]1OC(=O)C(=C1O)O)O.O InChI: InChI=1S/2C6H7O6.Ca.H2O/c2*7-1-2(8)5-3(9)4(10)6(11)12-5;;/h2*2,5,8-10H,1H2;;1H2/q2*-1;+2;/t2-,5+;2-,5-;;/m01../s1 InChIKey: XWUREMWZXUOKEU-MZMOOYPNSA-N
CBID:132653 http://www.chembase.cn/molecule-132653.html