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SMILES: c1(cnc(c(n1)CCC(=O)O)CCO)CCO Canonical SMILES: OCCc1cnc(c(n1)CCC(=O)O)CCO InChI: InChI=1S/C11H16N2O4/c14-5-3-8-7-12-9(4-6-15)10(13-8)1-2-11(16)17/h7,14-15H,1-6H2,(H,16,17) InChIKey: LOAQLPWVJYSQKH-UHFFFAOYSA-N
CBID:162307 http://www.chembase.cn/molecule-162307.html