| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:37 UTC |
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| Update Date | 2025-03-25 00:51:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186760 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13N3O4 |
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| Molecular Mass | 239.0906 |
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| SMILES | Nc1cccc(C(=O)NC(CO)C(=O)O)c1N |
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| InChI Key | ZSKYSQQUGDOWSL-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 | benzoic acids and derivatives |
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| Direct Parent | hippuric acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsprimary alcoholsprimary aminessecondary carboxylic acid amidesserine and derivativesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidbenzoylalpha-amino acid or derivativescarboxylic acid derivativebeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholn-acyl-alpha amino acid or derivativesalcoholvinylogous amiden-acyl-alpha-amino acidhippuric acid or derivativeshydroxy acidcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundserine or derivativesamineorganooxygen compound |
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