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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:30 UTC
Update Date2025-03-25 00:54:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204679
Frequency0.5
Structure
Chemical FormulaC13H14O7
Molecular Mass282.074
SMILESO=C1OC(C(O)C(O)Cc2ccc(O)cc2)C(O)=C1O
InChI KeyZRDVPERMOGHFHB-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
  • benzene and substituted derivatives
  • butenolides
  • carbonyl compounds
  • dihydrofurans
  • enoate esters
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • secondary alcohols
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • carboxylic acid derivative
  • lactone
  • alpha,beta-unsaturated carboxylic ester
  • 2-furanone
  • saccharide
  • organic oxide
  • organoheterocyclic compound
  • 1,2-diol
  • dihydrofuran
  • enoate ester
  • alcohol
  • oxacycle
  • vinylogous acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound