| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:27 UTC |
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| Update Date | 2025-03-21 18:03:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00041994 |
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| Frequency | 81.6 |
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| Structure | |
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| Chemical Formula | C9H8O6 |
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| Molecular Mass | 212.0321 |
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| SMILES | O=C(O)C(Oc1ccc(O)cc1)C(=O)O |
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| InChI Key | ISWDHSLCVJKDNS-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 | 1,3-dicarbonyl compounds1-hydroxy-2-unsubstituted benzenoids4-alkoxyphenolsalkyl aryl etherscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesphenol ethersphenoxy compounds |
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| Substituents | phenol etherphenoxyacetate4-alkoxyphenolcarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compounddicarboxylic acid or derivativesphenolhydrocarbon derivative1,3-dicarbonyl compoundphenoxy compoundorganooxygen compound |
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