Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:59:09 UTC
Update Date2025-03-21 22:03:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00483073
Frequency3.6
Structure
Chemical FormulaC7H9NO2
Molecular Mass139.0633
SMILESOCCOc1ccncc1
InChI KeyMDNNVQNQXQBAJM-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
  • hydroxypyridines
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • alcohol
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • alkyl aryl ether
  • pyridine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound