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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:06:51 UTC
Update Date2025-03-25 00:56:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02217185
Frequency0.5
Structure
Chemical FormulaC23H31NO3
Molecular Mass369.2304
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(CN(C)C)c1ccc(O)cc1)O2
InChI KeyGRXXEKUERWWCOU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent 1-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organopnictogen compounds
  • oxacyclic compounds
  • trialkylamines
    • Substituents
  • monocyclic benzene moiety
  • ether
  • 1-benzopyran
  • tertiary aliphatic amine
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound