| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:33 UTC |
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| Update Date | 2025-03-21 18:38:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118956 |
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| Frequency | 21.9 |
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| Structure | |
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| Chemical Formula | C9H10NO4+ |
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| Molecular Mass | 196.0604 |
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| SMILES | C[N+](=O)c1cc(CC(=O)O)ccc1O |
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| InChI Key | SXXXYCORUDFFMU-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aminoxidesbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic oxoazanium compoundsorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaminoxideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic oxoazaniumorganooxygen compound |
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