Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:56:00 UTC
Update Date2025-03-21 18:04:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00052802
Frequency61.5
Structure
Chemical FormulaC13H18O2
Molecular Mass206.1307
SMILESOC(c1ccccc1)C1(O)CCCCC1
InChI KeyIHBQQMPFWYZRPM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclohexanols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1,2-diols
  • aromatic alcohols
  • benzene and substituted derivatives
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • tertiary alcohols
  • Substituents
  • aromatic alcohol
  • monocyclic benzene moiety
  • cyclohexanol
  • cyclic alcohol
  • aromatic homomonocyclic compound
  • tertiary alcohol
  • hydrocarbon derivative
  • benzenoid
  • 1,2-diol