Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:36 UTC
Update Date2025-03-25 00:51:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02188983
Frequency0.5
Structure
Chemical FormulaC9H16O8
Molecular Mass252.0845
SMILESCC(O)CC(=O)OC1OC(O)C(O)C(O)C1O
InChI KeyLRDSXCVUQBDAEU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass beta hydroxy acids and derivatives
Direct Parent beta hydroxy acids and derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • carbonyl compounds
  • carboxylic acid esters
  • fatty acid esters
  • hemiacetals
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • Substituents
  • alcohol
  • fatty acyl
  • carbonyl group
  • monosaccharide
  • carboxylic acid derivative
  • oxacycle
  • fatty acid ester
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • acetal
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hemiacetal
  • hydrocarbon derivative
  • oxane
  • organoheterocyclic compound
  • organooxygen compound