Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:36 UTC
Update Date2025-03-25 00:45:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02152529
Frequency0.5
Structure
Chemical FormulaC21H29NO
Molecular Mass311.2249
SMILESC=CCc1cc2c(cc1OC)CC1C3CCCCC23CCN1C
InChI KeyDGSDPGAWBOHXNU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassalkaloids and derivatives
Classmorphinans
Subclass morphinans
Direct Parent morphinans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • benzazocines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • phenanthrenes and derivatives
  • piperidines
  • tetralins
  • trialkylamines
  • Substituents
  • tetralin
  • phenol ether
  • phenanthrene
  • ether
  • azacycle
  • tertiary aliphatic amine
  • alkyl aryl ether
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • benzazocine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • piperidine
  • morphinan
  • amine
  • tertiary amine
  • organoheterocyclic compound
  • organooxygen compound