Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:15 UTC
Update Date2025-03-25 00:46:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154088
Frequency0.5
Structure
Chemical FormulaC18H22O5
Molecular Mass318.1467
SMILESCOc1cc(CCCc2cc(OC)c(O)c(OC)c2)ccc1O
InChI KeyFHKKEKQKYAGUKW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classlinear 1,3-diarylpropanoids
Subclass cinnamylphenols
Direct Parent cinnamylphenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • dimethoxybenzenes
  • hydrocarbon derivatives
  • methoxyphenols
  • phenoxy compounds
  • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • cinnamylphenol
  • alkyl aryl ether
  • methoxybenzene
  • aromatic homomonocyclic compound
  • dimethoxybenzene
  • organic oxygen compound
  • m-dimethoxybenzene
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound