| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:56 UTC |
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| Update Date | 2025-03-25 00:59:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239948 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H14O7 |
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| Molecular Mass | 294.074 |
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| SMILES | O=C1CCC(Cc2cccc(OC(C(=O)O)C(=O)O)c2)O1 |
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| InChI Key | OTJJSYVLPCTCHH-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 heteromonocyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsalkyl aryl etherscarboxylic acid esterscarboxylic acidsgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsphenol ethersphenoxy compoundstetrahydrofuranstricarboxylic acids and derivatives |
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| Substituents | phenol etherphenoxyacetatecarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundtetrahydrofurantricarboxylic acid or derivativesalkyl aryl ethercarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxideorganic oxygen compoundcarboxylic acid esterhydrocarbon derivative1,3-dicarbonyl compoundphenoxy compoundorganoheterocyclic compoundorganooxygen compound |
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