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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:41:19 UTC
Update Date2025-03-21 17:59:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00018263
Frequency227.4
Structure
Chemical FormulaC12H16N2O2
Molecular Mass220.1212
SMILESCNCCc1c[nH]c2cc(O)c(OC)cc12
InChI KeyPANBIKBOMKNBPA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • pyrroles
    • Substituents
  • phenol ether
  • secondary aliphatic amine
  • ether
  • azacycle
  • indole
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • secondary amine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • amine