Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:25:20 UTC
Update Date2025-03-25 00:41:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02121931
Frequency0.6
Structure
Chemical FormulaC6H9NO3
Molecular Mass143.0582
SMILESNCC(O)c1coc(O)c1
InChI KeyRAANAEVVQJLQBA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classfurans
Subclass furans
Direct Parent furans
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
  • Substituents
  • aromatic alcohol
  • alcohol
  • furan
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • oxacycle
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound