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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:33 UTC
Update Date2025-03-25 00:46:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154800
Frequency0.5
Structure
Chemical FormulaC21H27NO4
Molecular Mass357.194
SMILESCOc1ccc(C(CN(C)C)C2(C)CCc3cc(O)cc(O)c3O2)cc1
InChI KeyWVKINSQQPZHFOE-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • hydrocarbon derivatives
  • methoxybenzenes
  • organopnictogen compounds
  • oxacyclic compounds
  • phenoxy compounds
  • trialkylamines
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • tertiary amine
  • tertiary aliphatic amine
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • organooxygen compound