Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:42 UTC
Update Date2025-03-25 00:47:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02164036
Frequency0.5
Structure
Chemical FormulaC18H20O2
Molecular Mass268.1463
SMILESCC1=C(C(=O)C=Cc2ccccc2O)C(C)(C)CC=C1
InChI KeyFYGQXNWRVSPBGR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcinnamic acids and derivatives
Subclass hydroxycinnamic acids and derivatives
Direct Parent hydroxycinnamic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alpha,beta-unsaturated ketones
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • alpha,beta-unsaturated ketone
  • hydroxycinnamic acid
  • ketone
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound