| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:53 UTC |
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| Update Date | 2025-03-21 18:28:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00073873 |
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| Frequency | 40.3 |
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| Structure | |
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| Chemical Formula | C11H13N3O2 |
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| Molecular Mass | 219.1008 |
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| SMILES | Nc1cccc2c(CC(N)C(=O)O)c[nH]c12 |
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| InChI Key | YMMOJBLXYRDUIR-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 | amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidamino acidindoleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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