Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:56 UTC
Update Date2025-03-21 18:38:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00119817
Frequency21.7
Structure
Chemical FormulaC9H11NO
Molecular Mass149.0841
SMILESCN(C=O)Cc1ccccc1
InChI KeyACVHDOLKAPAIGB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzene and substituted derivatives
Direct Parent benzene and substituted derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • tertiary carboxylic acid amides
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxamide group
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound