| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:06 UTC |
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| Update Date | 2025-03-21 18:36:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110611 |
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| Frequency | 24.1 |
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| Structure | |
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| Chemical Formula | C13H16O7 |
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| Molecular Mass | 284.0896 |
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| SMILES | O=C(O)C1(O)CC(O)C(O)C(Oc2ccccc2O)C1 |
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| InChI Key | WCXSESHUPVIJCF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | alcohols and polyols |
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| Direct Parent | quinic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclohexanolshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenol ethersphenoxy compoundstertiary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeorganic oxidecyclohexanolhydroxy acid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundtertiary alcoholmonocarboxylic acid or derivativessecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundquinic acid |
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