| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:15 UTC |
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| Update Date | 2025-03-21 18:39:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127659 |
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| Frequency | 20.0 |
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| Structure | |
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| Chemical Formula | C12H15N3O4 |
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| Molecular Mass | 265.1063 |
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| SMILES | CC(=O)Nc1cccc(C(=O)CC(N)C(=O)O)c1N |
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| InChI Key | WZMNDTFIXITWKN-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 | acetamidesacetanilidesalpha amino acidsamino acidsaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketonen-acetylarylamineamino acid or derivativesamino acidbenzoyln-arylamidealpha-amino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidevinylogous amideacetanilidecarboxamide groupgamma-keto acidbutyrophenonearomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesketo acidhydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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