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SMILES: C12C(C1C(=O)O)CCCC2 Canonical SMILES: OC(=O)C1C2C1CCCC2 InChI: InChI=1S/C8H12O2/c9-8(10)7-5-3-1-2-4-6(5)7/h5-7H,1-4H2,(H,9,10) InChIKey: PNTAWGJKWLLAAW-UHFFFAOYSA-N
CBID:17580 http://www.chembase.cn/molecule-17580.html