| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:52 UTC |
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| Update Date | 2025-03-21 18:37:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00114872 |
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| Frequency | 23.0 |
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| Structure | |
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| Chemical Formula | C8H9NO4 |
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| Molecular Mass | 183.0532 |
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| SMILES | Cc1c(C(N)=O)cc(O)c(O)c1O |
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| InChI Key | IQLGSHOUBIVTBN-UHFFFAOYSA-N |
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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 | benzenetriols and derivatives |
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| Direct Parent | pyrogallols and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzamidesbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesmeta cresolsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsortho cresolspara cresolsprimary carboxylic acid amideso-toluamides |
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| Substituents | primary carboxylic acid amidemonocyclic benzene moietybenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativetoluamidebenzamideorganic oxideo-toluamidep-cresolo-cresolorganonitrogen compoundorganopnictogen compoundpyrogallol derivativem-cresolbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidcarboxamide grouparomatic homomonocyclic compoundorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundtolueneorganooxygen compound |
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