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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:42 UTC
Update Date2025-03-21 18:36:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00112056
Frequency23.7
Structure
Chemical FormulaC16H16O5
Molecular Mass288.0998
SMILESCOc1ccc2c(c1)OCC(c1ccc(OC)c(O)c1)O2
InChI KeyCZRBTJUHNSJWPR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxanes
Subclass phenylbenzodioxanes
Direct Parent phenylbenzo-1,4-dioxanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • benzo-1,4-dioxanes
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • oxacyclic compounds
  • para dioxins
  • phenoxy compounds
    • Substituents
  • 2-phenylbenzo-1,4-dioxane
  • benzo-1,4-dioxane
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • 1-hydroxy-4-unsubstituted benzenoid
  • alkyl aryl ether
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • para-dioxin
  • aromatic heteropolycyclic compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound