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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:28 UTC
Update Date2025-03-25 00:59:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02236631
Frequency0.5
Structure
Chemical FormulaC18H21NO5
Molecular Mass331.142
SMILESCOc1ccc2c(c1)OCC(c1cc(OC)c(OC)c(OC)c1)N2
InChI KeyCDGQHJLSCFISDF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzoxazines
Subclass benzoxazines
Direct Parent benzoxazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • benzomorpholines
  • hydrocarbon derivatives
  • methoxybenzenes
  • organopnictogen compounds
  • oxacyclic compounds
  • phenoxy compounds
  • secondary alkylarylamines
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • alkyl aryl ether
  • benzomorpholine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • azacycle
  • benzoxazine
  • secondary amine
  • methoxybenzene
  • oxazinane
  • secondary aliphatic/aromatic amine
  • oxacycle
  • morpholine
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • organooxygen compound