Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:51:29 UTC
Update Date2025-03-21 18:03:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00042053
Frequency81.4
Structure
Chemical FormulaC20H20O5
Molecular Mass340.1311
SMILESCOc1ccc(C2OCC3C(c4ccc5c(c4)OCO5)OCC23)cc1
InChI KeyDTCCCMGAIQYLHL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslignans, neolignans and related compounds
Classfuranoid lignans
Subclass furan lignans
Direct Parent furan lignans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • alkyl aryl ethers
  • anisoles
  • benzodioxoles
  • dialkyl ethers
  • furofuran lignans
  • furofurans
  • hydrocarbon derivatives
  • methoxybenzenes
  • oxacyclic compounds
  • phenoxy compounds
  • tetrahydrofurans
  • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • furofuran lignan skeleton
  • tetrahydrofuran
  • alkyl aryl ether
  • methoxybenzene
  • dialkyl ether
  • oxacycle
  • furan lignan skeleton
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • furofuran
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organoheterocyclic compound
  • organooxygen compound
  • benzodioxole