Hmdb loader

Showing information for DMID02218230

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:18 UTC
Update Date2025-03-25 00:56:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02218230
Frequency0.5
Structure
Chemical FormulaC15H22NO6+
Molecular Mass312.1442
SMILESCc1cc[n+](C2C(O)C(O)C(O)C2O)c(C)c1CCC(=O)O
InChI KeyGFICQKGDBJOASO-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass halopyridines
Direct Parent polyhalopyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • cyclitols and derivatives
  • cyclopentanols
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • polyhalopyridine
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • organic cation
  • alcohol
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • cyclitol or derivatives
  • cyclic alcohol
  • cyclopentanol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound