| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:20 UTC |
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| Update Date | 2025-03-21 18:34:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098864 |
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| Frequency | 27.8 |
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| Structure | |
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| Chemical Formula | C13H15N3O3 |
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| Molecular Mass | 261.1113 |
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| SMILES | NC(Cc1c[nH]c2ccccc12)C(=O)C(N)C(=O)O |
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| InChI Key | OPEMSWOWTLHVPT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsamino fatty acidsazacyclic compoundsbenzenoidsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsfatty acylsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesindolesmedium-chain keto acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | fatty acylbeta-hydroxy ketonecarbonyl groupcarboxylic acidheterocyclic fatty acidindolebeta-keto acidketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivativesamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundketo acidpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compoundmedium-chain keto acid |
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