| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:43 UTC |
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| Update Date | 2025-03-21 18:05:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056718 |
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| Frequency | 56.1 |
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| Structure | |
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| Chemical Formula | C11H10O7 |
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| Molecular Mass | 254.0427 |
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| SMILES | O=C(O)CC(Oc1ccccc1C(=O)O)C(=O)O |
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| InChI Key | SGSVDNYYFFRYKS-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-carboxy-2-haloaromatic compoundsalkyl aryl ethersbenzoic acidsbenzoyl derivativescarbonyl compoundshydrocarbon derivativesorganic oxidesphenol ethersphenoxy compoundstricarboxylic acids and derivatives |
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| Substituents | phenol etherphenoxyacetatecarbonyl groupethercarboxylic acidbenzoylbenzoic acid or derivativestricarboxylic acid or derivativesalkyl aryl ethercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidphenoxy compoundorganooxygen compound |
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