Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:27 UTC
Update Date2025-03-21 18:34:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00101635
Frequency26.8
Structure
Chemical FormulaC12H16O
Molecular Mass176.1201
SMILESO=CCCCCCc1ccccc1
InChI KeyWDKODCDQZXMWJD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzene and substituted derivatives
Direct Parent benzene and substituted derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alpha-hydrogen aldehydes
  • hydrocarbon derivatives
  • organic oxides
  • Substituents
  • aromatic homomonocyclic compound
  • monocyclic benzene moiety
  • carbonyl group
  • organic oxide
  • organic oxygen compound
  • alpha-hydrogen aldehyde
  • aldehyde
  • hydrocarbon derivative
  • organooxygen compound