Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:41 UTC
Update Date2025-03-25 00:47:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02161696
Frequency0.5
Structure
Chemical FormulaC12H16FNO
Molecular Mass209.1216
SMILESNCC1(c2ccc(F)cc2)CCCCO1
InChI KeyZHIFSSWZCGHQSM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass halobenzenes
Direct Parent fluorobenzenes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aryl fluorides
  • dialkyl ethers
  • hydrocarbon derivatives
  • monoalkylamines
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • Substituents
  • aryl fluoride
  • ether
  • aromatic heteromonocyclic compound
  • organofluoride
  • organohalogen compound
  • dialkyl ether
  • aryl halide
  • oxacycle
  • fluorobenzene
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • oxane
  • organoheterocyclic compound
  • organooxygen compound