Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:14 UTC
Update Date2025-03-25 00:53:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02201799
Frequency0.5
Structure
Chemical FormulaC20H26O3
Molecular Mass314.1882
SMILESCc1ccc(CC(CO)C(CO)Cc2cccc(O)c2)c(C)c1
InChI KeyJFOYUGUSKKZZBU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslignans, neolignans and related compounds
Classdibenzylbutane lignans
Subclass dibenzylbutane lignans
Direct Parent dibenzylbutane lignans
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • hydrocarbon derivatives
  • primary alcohols
  • m-xylenes
  • Substituents
  • alcohol
  • monocyclic benzene moiety
  • m-xylene
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • xylene
  • dibenzylbutane lignan skeleton
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary alcohol
  • organooxygen compound