| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:39:52 UTC |
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| Update Date | 2025-03-24 20:25:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01442595 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C7H7NO2+ |
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| Molecular Mass | 137.0471 |
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| SMILES | CC1=[N+]C(C(=O)O)=CC=C1 |
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| InChI Key | IMOJJRRQUUMCGR-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesketiminesmethylpyridinesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganopnictogen compounds |
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| Substituents | ketiminecarbonyl groupcarboxylic acidazacycleiminemethylpyridineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganoheterocyclic compoundorganooxygen compound |
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