| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:19 UTC |
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| Update Date | 2025-03-21 18:35:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106201 |
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| Frequency | 25.4 |
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| Structure | |
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| Chemical Formula | C11H11NO5 |
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| Molecular Mass | 237.0637 |
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| SMILES | Cc1ccc(C(=O)CC(=O)C(=O)O)c(N)c1O |
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| InChI Key | JGENFYSDMFHXEI-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-4-unsubstituted benzenoidsalpha-hydroxy ketonesalpha-keto acids and derivativesamino acidsaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsortho cresolsprimary aminestoluenesvinylogous amides |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidbenzoylalpha-hydroxy ketonecarboxylic acid derivativeorganic oxideo-cresolorganonitrogen compoundalpha-keto acidorganopnictogen compoundvinylogous amide1-hydroxy-4-unsubstituted benzenoidgamma-keto acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesketo acidphenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundtolueneaminealkyl-phenylketone |
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