| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:06 UTC |
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| Update Date | 2025-03-21 18:34:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00103257 |
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| Frequency | 26.3 |
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| Structure | |
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| Chemical Formula | C11H12N2O4 |
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| Molecular Mass | 236.0797 |
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| SMILES | Nc1ccccc1C(=O)CC(=O)C(N)C(=O)O |
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| InChI Key | QULVFGWTUBZYBW-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 | 1,3-dicarbonyl compoundsalpha amino acidsamino acidsamino fatty acidsaryl alkyl ketonesbenzoyl derivativesbeta-hydroxy ketonesbeta-keto acids and derivativesbutyrophenonescarbocyclic fatty acidscarboxylic acidsfatty acylshydrocarbon derivativesmedium-chain keto acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylbutylaminesvinylogous amides |
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| Substituents | fatty acylbeta-hydroxy ketonecarbocyclic fatty acidmonocyclic benzene moietycarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidbenzoylalpha-amino acid or derivativescarboxylic acid derivativebeta-keto acidorganic oxidephenylbutylamineorganonitrogen compoundalpha-amino acidorganopnictogen compoundvinylogous amideamino fatty acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesketo acidhydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compound1,3-dicarbonyl compoundaminealkyl-phenylketonemedium-chain keto acid |
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