Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:52 UTC
Update Date2025-03-21 18:41:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00136023
Frequency18.4
Structure
Chemical FormulaC8H11NO2
Molecular Mass153.079
SMILESNCC(O)(O)c1ccccc1
InChI KeyPOMIRBQWWADMTF-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
  • aromatic alcohols
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • Substituents
  • aromatic alcohol
  • aromatic homomonocyclic compound
  • monocyclic benzene moiety
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound