Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:06:05 UTC
Update Date2025-03-21 18:29:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00076761
Frequency38.3
Structure
Chemical FormulaC9H10N2O2
Molecular Mass178.0742
SMILESCN1C(=O)OCC1c1cccnc1
InChI KeyPWKMUHJMHNYWRZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass methylpyridines
Direct Parent methylpyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbamate esters
  • carbonyl compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxazolidinones
  • Substituents
  • carbonyl group
  • carbonic acid derivative
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • carbamic acid ester
  • methylpyridine
  • oxacycle
  • oxazolidinone
  • organic oxide
  • organic oxygen compound
  • oxazolidine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound