| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:47 UTC |
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| Update Date | 2025-03-21 18:39:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126523 |
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| Frequency | 20.2 |
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| Structure | |
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| Chemical Formula | C12H14O4 |
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| Molecular Mass | 222.0892 |
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| SMILES | CC(O)C(=O)c1ccc(C(C)C(=O)O)cc1 |
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| InChI Key | SRFOZUYFDPIEIP-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 | acyloinsaromatic monoterpenoidsaryl alkyl ketonesbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesphenylpropanesphenylpropanoic acidssecondary alcohols |
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| Substituents | monoterpenoidmonocyclic benzene moietymonocyclic monoterpenoidcarboxylic acidaryl alkyl ketonebenzoylp-cymenecarboxylic acid derivativephenylpropaneorganic oxide2-phenylpropanoic-acidalcoholaromatic homomonocyclic compoundmonocarboxylic acid or derivativesacyloinsecondary alcoholhydrocarbon derivativebenzenoidalkyl-phenylketonearomatic monoterpenoid |
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