Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:25:06 UTC
Update Date2025-03-25 00:41:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02121404
Frequency0.6
Structure
Chemical FormulaC7H9O3+
Molecular Mass141.0546
SMILESOCCc1ccc(O)c[o+]1
InChI KeyAILHJENMYNIFSB-UHFFFAOYSA-O
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