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SMILES: C[C@]1(c2cccc(c2C(=O)C2=C([C@]3([C@@H](C[C@H]12)[C@@H](C(=C(C3=O)C(=O)N)O)N(C)C)O)O)O)O.O Canonical SMILES: CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C.O InChI: InChI=1S/C22H24N2O8.H2O/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28;/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30);1H2/t9-,10-,15-,21+,22-;/m0./s1 InChIKey: ZRRILXUKODPUEN-FMZCEJRJSA-N
CBID:148369 http://www.chembase.cn/molecule-148369.html