| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:50 UTC |
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| Update Date | 2025-03-21 18:40:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129047 |
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| Frequency | 19.7 |
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| Structure | |
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| Chemical Formula | C13H14N2O4 |
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| Molecular Mass | 262.0954 |
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| SMILES | NC(Cc1cn(CC(=O)O)c2ccccc12)C(=O)O |
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| InChI Key | NUIINCMATQEUSS-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 | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesn-alkylindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssubstituted pyrroles |
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| Substituents | carbonyl groupn-alkylindolecarboxylic acidindolesubstituted pyrroleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivativesorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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