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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:47 UTC
Update Date2025-03-25 01:01:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248885
Frequency0.5
Structure
Chemical FormulaC21H25NO4
Molecular Mass355.1784
SMILESCOc1cc(OC)c2c(c1)C1C3C=CC4C=CC(O)C(O2)C41CCN3C
InChI KeyIDLUNDQYMBMFPT-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
  • azaspirodecane derivatives
  • hydrocarbon derivatives
  • organopnictogen compounds
  • oxacyclic compounds
  • piperidines
  • secondary alcohols
  • trialkylamines
  • Substituents
  • phenol ether
  • ether
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • piperidine
  • tertiary amine
  • alcohol
  • azacycle
  • tertiary aliphatic amine
  • azaspirodecane
  • xanthene
  • oxacycle
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound