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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:43 UTC
Update Date2025-03-25 00:52:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02193728
Frequency0.5
Structure
Chemical FormulaC12H17NO2
Molecular Mass207.1259
SMILESCN(C)CC1OCC(O)c2ccccc21
InChI KeyAQKDYVZZSOPWHL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 2-benzopyrans
Direct Parent 2-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • benzenoids
  • dialkyl ethers
  • hydrocarbon derivatives
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
  • trialkylamines
    • Substituents
  • alcohol
  • ether
  • tertiary aliphatic amine
  • dialkyl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • 2-benzopyran
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound