Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:34 UTC
Update Date2025-03-25 00:49:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177555
Frequency0.5
Structure
Chemical FormulaC20H23F2NO
Molecular Mass331.1748
SMILESCc1cc2c(cc1F)C(CCCN(C)C)(c1ccc(F)cc1)OC2
InChI KeyYYPZHZPXJTYEMA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylbutylamines
Direct Parent phenylbutylamines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aryl fluorides
  • dialkyl ethers
  • fluorobenzenes
  • hydrocarbon derivatives
  • isocoumarans
  • organofluorides
  • organopnictogen compounds
  • oxacyclic compounds
  • trialkylamines
  • Substituents
  • aryl fluoride
  • ether
  • organohalogen compound
  • dialkyl ether
  • fluorobenzene
  • phenylbutylamine
  • isocoumaran
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • tertiary amine
  • organoheterocyclic compound
  • organofluoride
  • tertiary aliphatic amine
  • aryl halide
  • oxacycle
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • amine
  • organooxygen compound