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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:46 UTC
Update Date2025-03-25 00:47:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02161910
Frequency0.5
Structure
Chemical FormulaC22H18O6
Molecular Mass378.1103
SMILESO=C(O)C1OC(Oc2ccc3c4c5ccc(ccc2c3-4)=CC=C5)CC(O)C1O
InChI KeyJSPFSDPVRMPMQB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyran carboxylic acids and derivatives
Direct Parent pyran carboxylic acids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • acetals
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • secondary alcohols
    • Substituents
  • phenol ether
  • carbonyl group
  • carboxylic acid
  • monosaccharide
  • carboxylic acid derivative
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • oxane
  • 1,2-diol
  • alcohol
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound