Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:52:15 UTC
Update Date2025-03-24 21:22:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01759394
Frequency0.7
Structure
Chemical FormulaC6H8N2O2
Molecular Mass140.0586
SMILESOCCOc1ccncn1
InChI KeyKBWNWRRPORVOHT-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
  • alcohols and polyols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrimidines and pyrimidine derivatives
  • Substituents
  • alcohol
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • alkyl aryl ether
  • pyrimidine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound