Hmdb loader

Showing information for DMID02156980

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:32 UTC
Update Date2025-03-25 00:46:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156980
Frequency0.5
Structure
Chemical FormulaC6H6O6
Molecular Mass174.0164
SMILESO=C1C(=O)C(O)C(=O)OC1CO
InChI KeyLGKYYSWJMBUYML-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classlactones
Subclass delta valerolactones
Direct Parent delta valerolactones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • alpha-acyloxy ketones
  • carboxylic acid esters
  • cyclic ketones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • carbonyl group
  • alpha-acyloxy ketone
  • delta valerolactone
  • cyclic ketone
  • carboxylic acid derivative
  • ketone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • oxane
  • primary alcohol
  • delta_valerolactone
  • organooxygen compound