| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:24 UTC |
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| Update Date | 2025-03-21 18:35:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106418 |
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| Frequency | 25.3 |
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| Structure | |
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| Chemical Formula | C8H11NO4 |
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| Molecular Mass | 185.0688 |
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| SMILES | CC(=O)NC1C(=O)C=CC(O)C1O |
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| InChI Key | CPPAVAVTPHAXOD-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 | cyclohexenones |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | 1,2-diolsacetamidescarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | alcoholcyclohexenonecarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxideorganonitrogen compoundsecondary alcoholaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundacetamide1,2-diol |
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