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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:10 UTC
Update Date2025-03-25 00:47:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162832
Frequency0.5
Structure
Chemical FormulaC16H22O9
Molecular Mass358.1264
SMILESO=C(Cc1ccccc1)OCOC1OC(C(O)CO)C(O)C(O)C1O
InChI KeyZFVWOIKIQYHFDA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • monosaccharide
  • carboxylic acid derivative
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • acetal
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • oxane
  • primary alcohol
  • organoheterocyclic compound