Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:00 UTC
Update Date2025-03-25 00:53:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02201310
Frequency0.5
Structure
Chemical FormulaC27H31NO
Molecular Mass385.2406
SMILESCOc1ccc(C(CCN(C)C)C2c3ccccc3CCc3ccccc32)cc1
InChI KeyDARRKEYZHKUIIP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classdibenzocycloheptenes
Subclass dibenzocycloheptenes
Direct Parent dibenzocycloheptenes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • hydrocarbon derivatives
  • methoxybenzenes
  • organopnictogen compounds
  • phenoxy compounds
  • trialkylamines
  • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • tertiary aliphatic amine
  • aromatic homopolycyclic compound
  • alkyl aryl ether
  • dibenzocycloheptene
  • methoxybenzene
  • organic oxygen compound
  • anisole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • tertiary amine
  • organooxygen compound