Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:25 UTC
Update Date2025-03-25 00:59:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02236542
Frequency0.5
Structure
Chemical FormulaC17H19NO3
Molecular Mass285.1365
SMILESCOc1ccc2c3c1OC1OC=CC4C(CC314)N(C)CC2
InChI KeyZYMRVVKNNVYJDC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzazocines
Direct Parent benzazocines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • coumarans
  • furans
  • furopyrans
  • hydrocarbon derivatives
  • organopnictogen compounds
  • oxacyclic compounds
  • pyrans
  • trialkylamines
  • Substituents
  • furan
  • phenol ether
  • ether
  • alkyl aryl ether
  • acetal
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • tertiary amine
  • organoheterocyclic compound
  • coumaran
  • azacycle
  • tertiary aliphatic amine
  • furopyran
  • oxacycle
  • organic oxygen compound
  • pyran
  • anisole
  • benzazocine
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound