| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:34 UTC |
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| Update Date | 2025-03-25 00:49:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177560 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O7 |
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| Molecular Mass | 270.074 |
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| SMILES | COc1cc(C(O)CC(=O)O)ccc1OCC(=O)O |
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| InChI Key | QOSPDPXARWZNSC-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 | alkyl aryl ethersanisolesaromatic alcoholsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundsphenylpropanoic acidssecondary alcohols |
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| Substituents | aromatic alcoholphenol etherphenoxyacetatecarbonyl groupethercarboxylic acid3-phenylpropanoic-acidalkyl aryl ethercarboxylic acid derivativebeta-hydroxy acidorganic oxidealcoholhydroxy acidmethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganooxygen compound |
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