Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:04:26 UTC
Update Date2025-03-24 21:28:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01787720
Frequency0.7
Structure
Chemical FormulaC4H6NO2+
Molecular Mass100.0393
SMILESOCc1c[nH]c[o+]1
InChI KeyDVIAKCUABCPZNP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass oxazoles
Direct Parent oxazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic cations
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • Substituents
  • aromatic alcohol
  • alcohol
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • oxazole
  • oxacycle
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organooxygen compound