| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:16 UTC |
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| Update Date | 2025-03-25 00:56:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02215811 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O3 |
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| Molecular Mass | 218.0943 |
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| SMILES | CCC=CCC(=O)c1ccccc1C(=O)O |
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| InChI Key | ROLYSAGHZFYQIB-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 | 1-carboxy-2-haloaromatic compoundsaryl alkyl ketonesbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compounds |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoylbenzoic acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativeshydrocarbon derivativebenzenoid1-carboxy-2-haloaromatic compoundbenzoic acidalkyl-phenylketone |
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