Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:25:54 UTC
Update Date2025-03-24 14:19:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00833000
Frequency1.8
Structure
Chemical FormulaC5H8N2O2
Molecular Mass128.0586
SMILESOCCOc1c[nH]cn1
InChI KeyUNXISOOGJMSBMH-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
  • imidazoles
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • alcohol
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • alkyl aryl ether
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • azole