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SMILES: CC(C)CC(CC(=O)O)C(=O)OC Canonical SMILES: COC(=O)C(CC(=O)O)CC(C)C InChI: InChI=1S/C9H16O4/c1-6(2)4-7(5-8(10)11)9(12)13-3/h6-7H,4-5H2,1-3H3,(H,10,11) InChIKey: AJNNFMRCMKGYHA-UHFFFAOYSA-N
CBID:302531 http://www.chembase.cn/molecule-302531.html