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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:43:33 UTC
Update Date2025-03-21 17:59:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00023273
Frequency169.1
Structure
Chemical FormulaC13H16O9
Molecular Mass316.0794
SMILESO=C(O)C1C(O)C(O)C(O)C(O)C1Oc1c(O)cccc1O
InChI KeyNPACFOFZEUJFFM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenediols
Direct Parent resorcinols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • cyclitols and derivatives
  • cyclohexanols
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenol ethers
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • resorcinol
  • beta-hydroxy acid
  • organic oxide
  • alcohol
  • cyclohexanol
  • cyclitol or derivatives
  • hydroxy acid
  • 1-hydroxy-4-unsubstituted benzenoid
  • cyclic alcohol
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound