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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:01 UTC
Update Date2025-03-25 01:01:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249423
Frequency0.5
Structure
Chemical FormulaC18H17NO4
Molecular Mass311.1158
SMILESCOc1cc(C2c3cc4c(cc3N3CCC23)OCO4)ccc1O
InChI KeyFEJFPOWNAMDURO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzazepines
Subclass benzazepines
Direct Parent benzazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • azepines
  • azetidines
  • benzodioxoles
  • dialkylarylamines
  • hydrocarbon derivatives
  • indoles
  • methoxybenzenes
  • methoxyphenols
  • organopnictogen compounds
  • oxacyclic compounds
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • indole
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • acetal
  • aromatic heteropolycyclic compound
  • tertiary aliphatic/aromatic amine
  • organonitrogen compound
  • organopnictogen compound
  • dialkylarylamine
  • tertiary amine
  • benzodioxole
  • azacycle
  • indole or derivatives
  • methoxybenzene
  • azetidine
  • oxacycle
  • organic oxygen compound
  • azepine
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • benzazepine
  • amine
  • organooxygen compound