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SMILES: C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O[Ca]OC1=C(C(=O)O[C@@H]1[C@H](CO)O)O)O)O.O.O Canonical SMILES: OC[C@@H]([C@H]1OC(=O)C(=C1O[Ca]OC1=C(O)C(=O)O[C@@H]1[C@H](CO)O)O)O.O.O InChI: InChI=1S/2C6H8O6.Ca.2H2O/c2*7-1-2(8)5-3(9)4(10)6(11)12-5;;;/h2*2,5,7-10H,1H2;;2*1H2/q;;+2;;/p-2/t2*2-,5+;;;/m00.../s1 InChIKey: RGJHWLDSRIHFKY-FWCDDDAWSA-L
CBID:147985 http://www.chembase.cn/molecule-147985.html