Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:06 UTC
Update Date2025-03-25 00:47:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162644
Frequency0.5
Structure
Chemical FormulaC11H13NO2
Molecular Mass191.0946
SMILESO=C(CO)NC1CCc2ccccc21
InChI KeySLCFDYRAIVDPCL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classindanes
Subclass indanes
Direct Parent indanes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • alcohols and polyols
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • Substituents
  • alcohol
  • carbonyl group
  • aromatic homopolycyclic compound
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • indane
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound