Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:49 UTC
Update Date2025-03-21 18:38:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00119584
Frequency21.8
Structure
Chemical FormulaC22H40O7
Molecular Mass416.2774
SMILESCCCCCCCCCCCCCC=CC(=O)OC1OC(CO)C(O)C(O)C1O
InChI KeyBJVBELQHEDXKAN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acyl glycosides
Direct Parent fatty acyl glycosides of mono- and disaccharides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • carbonyl compounds
  • enoate esters
  • fatty acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • Substituents
  • fatty acyl glycoside of mono- or disaccharide
  • carbonyl group
  • monosaccharide
  • carboxylic acid derivative
  • alpha,beta-unsaturated carboxylic ester
  • saccharide
  • organic oxide
  • acetal
  • aliphatic heteromonocyclic compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • enoate ester
  • alcohol
  • oxacycle
  • fatty acid ester
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound