Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:13:32 UTC
Update Date2025-03-24 19:57:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01090016
Frequency1.3
Structure
Chemical FormulaC7H11NO2
Molecular Mass141.079
SMILESCC(C)C(=O)C1=NOCC1
InChI KeySGXHHMWPKCAAHV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazolines
Subclass isoxazolines
Direct Parent isoxazolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • Substituents
  • carbonyl group
  • azacycle
  • isoxazoline
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound