Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:51 UTC
Update Date2025-03-25 01:01:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249041
Frequency0.5
Structure
Chemical FormulaC20H24O3
Molecular Mass312.1725
SMILESCOc1ccc(C=CC(=O)C2=C(C)C=CCC2(C)C)cc1OC
InChI KeyNLBDCGASZNKFBO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcinnamic acids and derivatives
Subclass cinnamic acids and derivatives
Direct Parent cinnamic acids and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • alpha,beta-unsaturated ketones
  • anisoles
  • dimethoxybenzenes
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • phenoxy compounds
  • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • alkyl aryl ether
  • alpha,beta-unsaturated ketone
  • methoxybenzene
  • ketone
  • aromatic homomonocyclic compound
  • dimethoxybenzene
  • cinnamic acid or derivatives
  • organic oxide
  • organic oxygen compound
  • anisole
  • o-dimethoxybenzene
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound