| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:55 UTC |
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| Update Date | 2025-03-21 18:41:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133872 |
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| Frequency | 18.8 |
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| Structure | |
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| Chemical Formula | C10H11NO3 |
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| Molecular Mass | 193.0739 |
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| SMILES | CCC(=O)C(=O)c1cccc(O)c1N |
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| InChI Key | YOPFGXCPUZASTO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | butyrophenones |
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| Direct Parent | butyrophenones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha-diketonesaryl ketonesbenzoyl derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary aminesvinylogous amides |
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| Substituents | vinylogous amidecarbonyl groupbenzoyl1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalpha-diketoneketonebutyrophenonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compoundaryl ketone |
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