Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:13 UTC
Update Date2025-03-25 00:54:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02208649
Frequency0.5
Structure
Chemical FormulaC10H13NO2
Molecular Mass179.0946
SMILESCC(=O)ONc1c(C)cccc1C
InChI KeyCGTOJFFPAUHSIZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent n-acetoxyarylamines
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • acetate salts
  • carbonyl compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organic salts
  • organonitrogen compounds
  • organopnictogen compounds
  • m-xylenes
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • acetate salt
  • n-acetoxyarylamine
  • m-xylene
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • xylene
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic salt
  • carboxylic acid salt
  • organooxygen compound