| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:48 UTC |
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| Update Date | 2025-03-25 00:59:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237381 |
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| Frequency | 0.5 |
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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 | Nc1ccccc1C(=O)CC(O)C(O)=C=O |
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| InChI Key | RELMEMSRJDIUPR-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 | aryl alkyl ketonesbenzoyl derivativesbeta-hydroxy ketonesbutyrophenoneshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary aminessecondary alcoholsvinylogous amidesynolates |
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| Substituents | beta-hydroxy ketonemonocyclic benzene moietyaryl alkyl ketonebenzoylorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholvinylogous amidebutyrophenonearomatic homomonocyclic compoundynolatesecondary alcoholhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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