| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:38 UTC |
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| Update Date | 2025-03-25 00:51:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186802 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13NO4 |
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| Molecular Mass | 211.0845 |
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| SMILES | NCCc1cc(O)cc(O)c1CC(=O)O |
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| InChI Key | PEKRZFOVBPRCSU-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 | benzene and substituted derivatives |
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| Subclass | phenylacetic acids |
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| Direct Parent | 2(hydroxyphenyl)acetic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsresorcinols |
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| Substituents | carbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativeresorcinolaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound2(hydroxyphenyl)acetic acid |
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