Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:37:06 UTC
Update Date2025-03-21 17:57:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00008695
Frequency561.7
Structure
Chemical FormulaC10H11NO
Molecular Mass161.0841
SMILESCOc1ccc2[nH]cc(C)c2c1
InChI KeyYSOFHURJVUIKMU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent 3-methylindoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indoles
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • Substituents
  • 3-methylindole
  • phenol ether
  • ether
  • azacycle
  • 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