Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:12 UTC
Update Date2025-03-21 18:35:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00105914
Frequency25.5
Structure
Chemical FormulaC9H14O6
Molecular Mass218.079
SMILESCCOC(=O)C1(O)CC(=O)C(O)C(O)C1
InChI KeyJTEHJFXQACMBMQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclitols and derivatives
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • carboxylic acid esters
  • cyclic ketones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
  • tertiary alcohols
  • Substituents
  • carbonyl group
  • cyclitol or derivatives
  • cyclic ketone
  • carboxylic acid derivative
  • ketone
  • tertiary alcohol
  • organic oxide
  • monocarboxylic acid or derivatives
  • carboxylic acid ester
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative