Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:45:42 UTC
Update Date2025-03-25 00:48:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02168625
Frequency0.5
Structure
Chemical FormulaC10H18O5
Molecular Mass218.1154
SMILESCC(C)C(=O)OC1CC(O)C(O)C(C)O1
InChI KeyCVOCKWDUANPORO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • acetals
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • Substituents
  • alcohol
  • carbonyl group
  • monosaccharide
  • carboxylic acid derivative
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • acetal
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • organoheterocyclic compound
  • 1,2-diol