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SMILES: C1COc2c(c([nH]c2C(=O)O)C(=O)O)OC1.O Canonical SMILES: OC(=O)c1[nH]c(c2c1OCCCO2)C(=O)O.O InChI: InChI=1S/C9H9NO6.H2O/c11-8(12)4-6-7(5(10-4)9(13)14)16-3-1-2-15-6;/h10H,1-3H2,(H,11,12)(H,13,14);1H2 InChIKey: AHWAGXGPDRWHBF-UHFFFAOYSA-N
CBID:141946 http://www.chembase.cn/molecule-141946.html