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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:42:38 UTC
Update Date2025-03-21 17:59:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00021206
Frequency189.1
Structure
Chemical FormulaC12H15NO2
Molecular Mass205.1103
SMILESCOc1ccc2[nH]cc(CCCO)c2c1
InChI KeyWNOKNPQVKXNVFV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alcohols and polyols
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • Substituents
  • alcohol
  • phenol ether
  • ether
  • azacycle
  • indole
  • heteroaromatic compound
  • alkyl aryl ether
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound