Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:21 UTC
Update Date2025-03-25 00:47:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02160968
Frequency0.5
Structure
Chemical FormulaC9H17NO4
Molecular Mass203.1158
SMILESNC1CC(O)C=CC1C(O)C(O)CO
InChI KeyCOFBXWCUICEPKG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • primary alcohols
  • Substituents
  • organonitrogen compound
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • primary alcohol