Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:59 UTC
Update Date2025-03-25 00:52:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02194318
Frequency0.5
Structure
Chemical FormulaC10H17NO3
Molecular Mass199.1208
SMILESCN1C2CCC1OC(CCC(=O)O)C2
InChI KeyGAWGDENKZRKSRV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-oxazinanes
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • hemiaminals
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • n-alkylpyrrolidine
  • 1,3-oxazinane
  • carboxylic acid derivative
  • hemiaminal
  • oxazinane
  • aliphatic heteropolycyclic compound
  • oxepane
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • organooxygen compound