Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:08:06 UTC
Update Date2025-03-21 23:08:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00646458
Frequency2.5
Structure
Chemical FormulaC7H9O2+
Molecular Mass125.0597
SMILESOCCc1cccc[o+]1
InChI KeyNFHOQSDBUUTWST-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classheteroaromatic compounds
Subclass heteroaromatic compounds
Direct Parent heteroaromatic compounds
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alcohols and polyols
  • hydrocarbon derivatives
  • organic cations
  • oxacyclic compounds
  • Substituents
  • alcohol
  • oxacycle
  • organic oxygen compound
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • hydrocarbon derivative
  • organic cation
  • organooxygen compound