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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:21 UTC
Update Date2025-03-25 00:49:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177044
Frequency0.5
Structure
Chemical FormulaC14H16O10
Molecular Mass344.0743
SMILESO=C(O)C1(OCC2OC(O)C(O)C(O)C2O)Oc2ccccc2O1
InChI KeyPDMQIIZGIJEQDD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxoles
Subclass benzodioxoles
Direct Parent benzodioxoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • benzenoids
  • carbonyl compounds
  • carboxylic acid orthoesters
  • carboxylic acids
  • hemiacetals
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • ortho esters
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
    • Substituents
  • alcohol
  • carbonyl group
  • carboxylic acid
  • ortho ester
  • monosaccharide
  • carboxylic acid orthoester
  • carboxylic acid derivative
  • oxacycle
  • saccharide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • hemiacetal
  • hydrocarbon derivative
  • benzenoid
  • orthocarboxylic acid derivative
  • oxane
  • organooxygen compound
  • benzodioxole