| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:47 UTC |
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| Update Date | 2025-03-21 18:31:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00087902 |
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| Frequency | 32.3 |
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| Structure | |
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| Chemical Formula | C11H14N2O4 |
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| Molecular Mass | 238.0954 |
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| SMILES | Cc1ccc(C(=O)CC(N)C(=O)O)c(N)c1O |
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| InChI Key | BHPWCYYINLFUDE-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-hydroxy-4-unsubstituted benzenoidsalpha amino acidsamino acidsaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsortho cresolstoluenesvinylogous amides |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidbenzoylalpha-amino acid or derivativescarboxylic acid derivativeorganic oxideo-cresolorganonitrogen compoundalpha-amino acidorganopnictogen compoundvinylogous amide1-hydroxy-4-unsubstituted benzenoidgamma-keto acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesketo acidphenolhydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundtolueneaminealkyl-phenylketone |
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