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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:55 UTC
Update Date2025-03-25 00:56:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02219677
Frequency0.5
Structure
Chemical FormulaC15H20N2O7
Molecular Mass340.1271
SMILESCOc1cc2[nH]cc(NC3OC(CO)C(O)C(O)C3O)c2cc1O
InChI KeyHJZXCEUOAWUXCX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monosaccharides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • pyrroles
  • secondary alcohols
  • secondary alkylarylamines
  • Substituents
  • phenol ether
  • ether
  • indole
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • alkyl aryl ether
  • saccharide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • primary alcohol
  • alcohol
  • azacycle
  • heteroaromatic compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • oxacycle
  • organic oxygen compound
  • anisole
  • pyrrole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • amine