| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:06 UTC |
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| Update Date | 2025-03-25 00:47:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160425 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13N3O4 |
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| Molecular Mass | 251.0906 |
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| SMILES | Nc1cccc(C(=O)C(=O)CC(N)C(=O)O)c1N |
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| InChI Key | NNWWJWUVYFQDTK-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 | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsalpha-diketonesamino acidsamino fatty acidsaryl ketonesbenzoyl derivativesbutyrophenonescarbocyclic fatty acidscarboxylic acidsfatty acylsgamma-keto acids and derivativeshydrocarbon derivativesmedium-chain keto acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsvinylogous amides |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acidamino acid or derivativesamino acidbenzoylalpha-amino acid or derivativescarboxylic acid derivativeketoneorganic oxidephenylbutylamineorganonitrogen compoundalpha-amino acidorganopnictogen compoundvinylogous amideamino fatty acidalpha-diketonegamma-keto acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compoundaryl ketonemedium-chain keto acid |
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