| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:49 UTC |
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| Update Date | 2025-03-21 18:35:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105002 |
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| Frequency | 25.8 |
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| Structure | |
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| Chemical Formula | C15H20O3 |
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| Molecular Mass | 248.1412 |
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| SMILES | CC(C(=O)O)c1ccc(C(=O)CC(C)(C)C)cc1 |
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| InChI Key | NSINGBYWFWSIML-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aromatic monoterpenoidsaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesphenylpropanoic acids |
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| Substituents | monoterpenoidmonocyclic benzene moietymonocyclic monoterpenoidcarboxylic acidaryl alkyl ketonebenzoylp-cymenecarboxylic acid derivativebutyrophenonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivatives2-phenylpropanoic-acidhydrocarbon derivativebenzenoidalkyl-phenylketonearomatic monoterpenoid |
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