Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:46:57 UTC
Update Date2025-03-21 18:01:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00031232
Frequency118.2
Structure
Chemical FormulaC12H15NO2
Molecular Mass205.1103
SMILESCOCCc1c[nH]c2ccc(OC)cc12
InChI KeyQCJMORSYQWRSHH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • dialkyl ethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • Substituents
  • phenol ether
  • ether
  • azacycle
  • indole
  • heteroaromatic compound
  • alkyl aryl ether
  • dialkyl ether
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound