| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:44 UTC |
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| Update Date | 2025-03-21 18:38:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121727 |
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| Frequency | 21.3 |
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| Structure | |
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| Chemical Formula | C10H12O6 |
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| Molecular Mass | 228.0634 |
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| SMILES | O=C(O)C(Oc1ccc(O)cc1)C(O)CO |
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| InChI Key | KSJBTBFZWSDOGT-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 | phenoxyacetic acid derivatives |
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| Direct Parent | phenoxyacetic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoids4-alkoxyphenolsalkyl aryl ethersbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenol ethersphenoxy compoundsprimary alcoholssecondary alcohols |
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| Substituents | phenol etherphenoxyacetatecarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativebeta-hydroxy acidorganic oxideprimary alcohol1,2-diolalcohol4-alkoxyphenolhydroxy acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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