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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:46 UTC
Update Date2025-03-25 00:49:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02175658
Frequency0.5
Structure
Chemical FormulaC16H18O10
Molecular Mass370.09
SMILESO=C(Cc1ccc(O)c(O)c1)OC1C=C(C(=O)O)OC(C(O)CO)C1O
InChI KeyHBENVZBUGIMCGN-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-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxylic acid derivative
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • primary alcohol
  • organoheterocyclic compound
  • organooxygen compound