Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:23 UTC
Update Date2025-03-25 00:51:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02186195
Frequency0.5
Structure
Chemical FormulaC18H18O
Molecular Mass250.1358
SMILESO=C(CC=Cc1ccccc1)CCc1ccccc1
InChI KeyXPZRLUHFPWOUNB-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
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • Substituents
  • ketone
  • aromatic homomonocyclic compound
  • monocyclic benzene moiety
  • carbonyl group
  • organic oxide
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound