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SMILES: C1COC(CC1)(C)C(=O)O Canonical SMILES: OC(=O)C1(C)CCCCO1 InChI: InChI=1S/C7H12O3/c1-7(6(8)9)4-2-3-5-10-7/h2-5H2,1H3,(H,8,9) InChIKey: KUHXTIPLGHIAGK-UHFFFAOYSA-N
CBID:56268 http://www.chembase.cn/molecule-56268.html