| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:53 UTC |
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| Update Date | 2025-03-21 18:07:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00069057 |
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| Frequency | 43.8 |
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| Structure | |
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| Chemical Formula | C9H9NO3 |
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| Molecular Mass | 179.0582 |
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| SMILES | CC(=O)c1cccc(C(=O)O)c1N |
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| InChI Key | GSVGAXFEIRLBIG-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 compoundsacetophenonesamino acidsaryl alkyl ketonesbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminesvinylogous amides |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidbenzoylcarboxylic acid derivativeorganic oxideorganonitrogen compoundacetophenoneorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidvinylogous amidebenzoic acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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