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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:19 UTC
Update Date2025-03-25 00:49:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176945
Frequency0.5
Structure
Chemical FormulaC19H17NO6
Molecular Mass355.1056
SMILESO=[N+]([O-])c1ccc(C2OCC3C(c4ccc5c(c4)OCO5)OCC23)cc1
InChI KeyGTWNVEQLAVGKBX-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
  • benzodioxoles
  • dialkyl ethers
  • furofuran lignans
  • furofurans
  • hydrocarbon derivatives
  • nitroaromatic compounds
  • nitrobenzenes
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • propargyl-type 1,3-dipolar organic compounds
  • tetrahydrofurans
    • Substituents
  • monocyclic benzene moiety
  • ether
  • furofuran lignan skeleton
  • allyl-type 1,3-dipolar organic compound
  • dialkyl ether
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • furofuran
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • organic oxoazanium
  • organoheterocyclic compound
  • benzodioxole
  • nitrobenzene
  • nitroaromatic compound
  • tetrahydrofuran
  • organic 1,3-dipolar compound
  • oxacycle
  • furan lignan skeleton
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • organic hyponitrite