| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:15 UTC |
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| Update Date | 2025-03-21 18:01:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00031938 |
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| Frequency | 219.5 |
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| Structure | |
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| Chemical Formula | C11H11NO4 |
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| Molecular Mass | 221.0688 |
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| SMILES | O=C(O)CN=C(O)CC(=O)c1ccccc1 |
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| InChI Key | YYSJAUVQWGBFJG-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 | alpha amino acidsaryl alkyl ketonesbenzoyl derivativesbeta-hydroxy ketonescarboximidic acidscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | beta-hydroxy ketonecarboximidic acidmonocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoylalpha-amino acid or derivativescarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic 1,3-dipolar compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketone |
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