Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:59 UTC
Update Date2025-03-25 00:49:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171565
Frequency0.5
Structure
Chemical FormulaC12H18N2O4
Molecular Mass254.1267
SMILESCN(O)CC(O)COc1ccc(CC(N)=O)cc1
InChI KeyZAUAPMAMQKKTQM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylacetamides
Direct Parent phenylacetamides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • n-organohydroxylamines
  • organic oxides
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • primary carboxylic acid amides
  • secondary alcohols
  • Substituents
  • primary carboxylic acid amide
  • alcohol
  • phenol ether
  • carbonyl group
  • ether
  • alkyl aryl ether
  • carboxamide group
  • carboxylic acid derivative
  • n-organohydroxylamine
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • phenylacetamide
  • organooxygen compound