Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:12:09 UTC
Update Date2025-03-24 16:43:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00943435
Frequency1.5
Structure
Chemical FormulaC6H9NO2
Molecular Mass127.0633
SMILESOCCc1cc(O)c[nH]1
InChI KeyOMDZVDMKACEJRO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classheteroaromatic compounds
Subclass heteroaromatic compounds
Direct Parent heteroaromatic compounds
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alcohols and polyols
  • azacyclic compounds
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • Substituents
  • alcohol
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • organic oxygen compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound