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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:07 UTC
Update Date2025-03-21 18:41:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00134312
Frequency18.7
Structure
Chemical FormulaC15H19NO6
Molecular Mass309.1212
SMILESOCc1c(C2OC(CO)C(O)C(O)C2O)[nH]c2ccccc12
InChI KeyALUHUDDBTHQSAN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indole-3-carbinol and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aromatic alcohols
  • azacyclic compounds
  • benzenoids
  • dialkyl ethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indoles
  • monosaccharides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • pyrroles
  • secondary alcohols
  • Substituents
  • aromatic alcohol
  • ether
  • monosaccharide
  • dialkyl ether
  • saccharide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • primary alcohol
  • alcohol
  • azacycle
  • heteroaromatic compound
  • oxacycle
  • organic oxygen compound
  • pyrrole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • indole-3-carbinol or derivatives
  • organic nitrogen compound
  • organooxygen compound