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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:44 UTC
Update Date2025-03-25 00:52:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02193766
Frequency0.5
Structure
Chemical FormulaC17H19NO4
Molecular Mass301.1314
SMILESCN(C)CCC1c2ccc(O)cc2Oc2cc(O)c(O)cc21
InChI KeyJPSNZYLIEYKPEH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent xanthenes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzenoids
  • diarylethers
  • hydrocarbon derivatives
  • organopnictogen compounds
  • oxacyclic compounds
  • trialkylamines
  • Substituents
  • diaryl ether
  • ether
  • tertiary aliphatic amine
  • 1-hydroxy-2-unsubstituted benzenoid
  • xanthene
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound