| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:45 UTC |
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| Update Date | 2025-03-21 18:39:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126463 |
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| Frequency | 20.2 |
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| Structure | |
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| Chemical Formula | C11H10O5 |
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| Molecular Mass | 222.0528 |
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| SMILES | Cc1cc(C(=O)CC(=O)C(=O)O)ccc1O |
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| InChI Key | RPMAFMQUODGILQ-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-hydroxy-2-unsubstituted benzenoidsalpha-hydroxy ketonesalpha-keto acids and derivativesaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesortho cresolstoluenes |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidalpha-hydroxy ketonecarboxylic acid derivativeorganic oxideo-cresolalpha-keto acidgamma-keto acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesketo acidphenolhydrocarbon derivativebenzenoidtoluenealkyl-phenylketone |
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