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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:22 UTC
Update Date2025-03-25 00:50:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02181646
Frequency0.5
Structure
Chemical FormulaC12H14O9
Molecular Mass302.0638
SMILESO=C(O)C1(O)OC(c2ccc(O)c(O)c2)C(C(O)CO)O1
InChI KeyKWHBGBFUORROGU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • 1,3-dioxolanes
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • orthocarboxylic acid derivatives
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • meta-dioxolane
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxylic acid derivative
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • orthocarboxylic acid derivative
  • primary alcohol
  • organoheterocyclic compound
  • organooxygen compound
  • 1,2-diol