| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:19 UTC |
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| Update Date | 2025-03-21 18:41:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00137073 |
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| Frequency | 18.2 |
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| Structure | |
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| Chemical Formula | C16H20O9 |
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| Molecular Mass | 356.1107 |
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| SMILES | O=C(O)C1(O)CC(O)C(OC(O)C=Cc2ccc(O)c(O)c2)C(O)C1 |
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| InChI Key | PGMHJBOEPRQZAB-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 benzenoidsalpha hydroxy acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidscinnamyl alcoholscyclohexanolshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidestertiary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidcinnamyl alcoholcarboxylic acid derivativeorganic oxidehemiacetalcyclohexanolhydroxy acid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundtertiary alcoholmonocarboxylic acid or derivativessecondary alcoholphenolhydrocarbon derivativebenzenoidquinic acid |
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