Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:56:53 UTC
Update Date2025-03-21 18:05:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00054765
Frequency58.6
Structure
Chemical FormulaC13H18O2
Molecular Mass206.1307
SMILESCCCCC(=O)Cc1ccc(OC)cc1
InChI KeyKBJNVZQQKHPHIX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • hydrocarbon derivatives
  • ketones
  • methoxybenzenes
  • organic oxides
  • phenoxy compounds
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • alkyl aryl ether
  • methoxybenzene
  • ketone
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound