Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:32 UTC
Update Date2025-03-25 00:53:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02202452
Frequency0.5
Structure
Chemical FormulaC9H14N3O3+
Molecular Mass212.103
SMILESC[N+](C)(C)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChI KeyMKBMLALCAPHYHC-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic carbonic acids and derivatives
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • vinylogous amides
  • Substituents
  • vinylogous amide
  • carbonyl group
  • carbonic acid derivative
  • lactam
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • pyrimidone
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organooxygen compound