| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:08 UTC |
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| Update Date | 2025-03-25 00:53:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199286 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H9NO4 |
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| Molecular Mass | 207.0532 |
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| SMILES | NC(=O)CC(=O)c1ccccc1C(=O)O |
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| InChI Key | VLCHBWMYQKJSJI-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 derivativesfatty amideshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylmonocyclic benzene moietycarboxylic acidaryl alkyl ketonefatty amidebenzoylcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidbenzoic acid or derivativescarboxamide grouparomatic homomonocyclic compoundmonocarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketone |
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