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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:11 UTC
Update Date2025-03-25 00:57:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02224845
Frequency0.5
Structure
Chemical FormulaC12H17NO2
Molecular Mass207.1259
SMILESNCCCC1(O)OCCc2ccccc21
InChI KeyHXTCWNJEJDIUHM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 2-benzopyrans
Direct Parent 2-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • benzenoids
  • hemiacetals
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
    • Substituents
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • 2-benzopyran
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound