Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:09 UTC
Update Date2025-03-21 18:37:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00117982
Frequency22.2
Structure
Chemical FormulaC12H15FO
Molecular Mass194.1107
SMILESOC1(c2ccc(F)cc2)CCCCC1
InChI KeyAQUBFIGZUKRAOL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass halobenzenes
Direct Parent fluorobenzenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl fluorides
  • cyclic alcohols and derivatives
  • cyclohexanols
  • hydrocarbon derivatives
  • organofluorides
  • tertiary alcohols
  • Substituents
  • aryl fluoride
  • alcohol
  • organofluoride
  • cyclohexanol
  • cyclic alcohol
  • organohalogen compound
  • aryl halide
  • aromatic homomonocyclic compound
  • fluorobenzene
  • tertiary alcohol
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound