Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:32:21 UTC
Update Date2025-03-24 22:15:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01135318
Frequency1.2
Structure
Chemical FormulaC6H8NO2+
Molecular Mass126.055
SMILESC[N+](=O)Cc1ccco1
InChI KeyWQCZCCKEYZJAIF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classfurans
Subclass furans
Direct Parent furans
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aminoxides
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organic oxoazanium compounds
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • Substituents
  • furan
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aminoxide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic oxoazanium
  • organooxygen compound