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SMILES: C(=O)([C@@H]([C@H](C(=O)O)O)O)O.C12c3c(C(C1)CNC2)cc1c(c3)nccn1 Canonical SMILES: N1CC2CC(C1)c1c2cc2c(c1)nccn2.O[C@H]([C@H](C(=O)O)O)C(=O)O InChI: InChI=1S/C13H13N3.C4H6O6/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1;5-1(3(7)8)2(6)4(9)10/h1-2,4-5,8-9,14H,3,6-7H2;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1 InChIKey: TWYFGYXQSYOKLK-LREBCSMRSA-N
CBID:72680 http://www.chembase.cn/molecule-72680.html