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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:11 UTC
Update Date2025-03-25 00:46:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153947
Frequency0.5
Structure
Chemical FormulaC19H23NO3
Molecular Mass313.1678
SMILESCOc1ccc2c3c1OC1C(O)C=CCC1C31CCN(C)C1C2
InChI KeyVEKWNRBGUXOANO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent xanthenes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • hydrocarbon derivatives
  • indanes
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
  • trialkylamines
    • Substituents
  • phenol ether
  • ether
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • tertiary amine
  • alcohol
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • xanthene
  • oxacycle
  • organic oxygen compound
  • anisole
  • indane
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound