Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:02 UTC
Update Date2025-03-25 00:53:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02199028
Frequency0.5
Structure
Chemical FormulaC20H25NO3
Molecular Mass327.1834
SMILESCOc1ccc2c3c1OCC1CC(O)C=CC4C(C2)N(C)CCC314
InChI KeyIMEURBLVVBVXLK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • oxacyclic compounds
  • piperidines
  • secondary alcohols
  • trialkylamines
  • Substituents
  • tetralin
  • phenol ether
  • ether
  • 1-benzopyran
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • chromane
  • piperidine
  • tertiary amine
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • azacycle
  • tertiary aliphatic amine
  • oxacycle
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound