Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:53 UTC
Update Date2025-03-25 00:56:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02219566
Frequency0.5
Structure
Chemical FormulaC20H20O6
Molecular Mass356.126
SMILESCOc1ccc(C2(O)OCC3C(c4ccc5c(c4)OCO5)OCC32)cc1
InChI KeyPMFCNJCUFBKWDY-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
  • hemiacetals
  • 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
  • hemiacetal
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organoheterocyclic compound
  • organooxygen compound
  • benzodioxole