| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:37 UTC |
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| Update Date | 2025-03-21 18:03:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047246 |
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| Frequency | 70.6 |
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| Structure | |
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| Chemical Formula | C12H16N2O3 |
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| Molecular Mass | 236.1161 |
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| SMILES | Cc1ccc(C(=O)CC(N)C(=O)O)c(N)c1C |
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| InChI Key | UBUPGJDRYJKIID-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 | alpha amino acidsamino acidsaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsvinylogous amideso-xylenes |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidbenzoylalpha-amino acid or derivativescarboxylic acid derivativexyleneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundvinylogous amidegamma-keto acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativeso-xyleneketo acidhydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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