Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:01:48 UTC
Update Date2025-03-24 20:08:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01351479
Frequency1.0
Structure
Chemical FormulaC32H54O27
Molecular Mass870.2852
SMILESO=CC(O)C(O)C(OC1OC(CO)C(O)C(OC2(C(=O)O)CC(CO)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C1O)C(O)CO
InChI KeyZYRLFXMFBOQOKQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classtannins
Subclass hydrolyzable tannins
Direct Parent hydrolyzable tannins
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • alkyl glycosides
  • alpha-hydroxyaldehydes
  • beta hydroxy acids and derivatives
  • beta-hydroxy aldehydes
  • carboxylic acids
  • cyclohexanols
  • dialkyl ethers
  • fatty acyl glycosides of mono- and disaccharides
  • fatty alcohols
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • quinic acids and derivatives
  • Substituents
  • fatty acyl
  • fatty acyl glycoside of mono- or disaccharide
  • beta-hydroxy aldehyde
  • carbonyl group
  • ether
  • carboxylic acid
  • monosaccharide
  • carboxylic acid derivative
  • dialkyl ether
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • alpha-hydroxyaldehyde
  • acetal
  • fatty alcohol
  • aliphatic heteromonocyclic compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • hydrolyzable tannin
  • alcohol
  • fatty acyl glycoside
  • cyclohexanol
  • aldehyde
  • cyclitol or derivatives
  • hydroxy acid
  • cyclic alcohol
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound
  • alkyl glycoside
  • quinic acid