Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:43 UTC
Update Date2025-03-25 00:46:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155185
Frequency0.5
Structure
Chemical FormulaC8H11NO3
Molecular Mass169.0739
SMILESCC(=O)C1=C(C)N(O)C(=O)C1C
InChI KeyPECVHYLHZYVLJP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • hydroxamic acids
  • ketones
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • carbonyl group
  • azacycle
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • organic oxygen compound
  • pyrroline
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • hydroxamic acid
  • organooxygen compound