Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:53 UTC
Update Date2025-03-25 01:01:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249100
Frequency0.5
Structure
Chemical FormulaC6H8N2O2
Molecular Mass140.0586
SMILESCOc1ccc(CO)nn1
InChI KeyGAODUOUIWBJNQQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent alkyl aryl ethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • pyridazines and derivatives
  • Substituents
  • aromatic alcohol
  • alcohol
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • alkyl aryl ether
  • pyridazine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound