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SMILES: CC1(C)CC(=O)CCC1C(=O)O Canonical SMILES: O=C1CCC(C(C1)(C)C)C(=O)O InChI: InChI=1S/C9H14O3/c1-9(2)5-6(10)3-4-7(9)8(11)12/h7H,3-5H2,1-2H3,(H,11,12) InChIKey: NZSQDCPBCNZMHB-UHFFFAOYSA-N
CBID:291715 http://www.chembase.cn/molecule-291715.html