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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:28 UTC
Update Date2025-03-25 00:46:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154605
Frequency0.5
Structure
Chemical FormulaC19H20O5
Molecular Mass328.1311
SMILESCOc1ccc(C2OCC3C(c4ccc(O)c(OC)c4)OC23)cc1
InChI KeyURVVJGCWFRBVCV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,4-dioxepanes
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • dialkyl ethers
  • hydrocarbon derivatives
  • methoxybenzenes
  • oxacyclic compounds
  • oxetanes
  • phenoxy compounds
  • tetrahydrofurans
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • tetrahydrofuran
  • 1,4-dioxepane
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • methoxybenzene
  • dioxepane
  • dialkyl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • oxetane
  • hydrocarbon derivative
  • phenoxy compound
  • organoheterocyclic compound
  • organooxygen compound