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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:24:40 UTC
Update Date2025-03-24 20:44:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01549695
Frequency0.8
Structure
Chemical FormulaC36H53NO24
Molecular Mass883.2958
SMILESCOc1cc(C=CC(=O)OCC2OC(OC(C(O)CO)C(O)C(O)C=O)C(O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3NC(C)=O)C2O)ccc1O
InChI KeyCFPXHZOBYMTTFN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent n-acyl-alpha-hexosamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • acetamides
  • alkyl aryl ethers
  • alkyl glycosides
  • alpha-hydroxyaldehydes
  • anisoles
  • beta-hydroxy aldehydes
  • enoate esters
  • fatty acid esters
  • fatty acyl glycosides of mono- and disaccharides
  • hydrocarbon derivatives
  • hydroxycinnamic acids
  • methoxybenzenes
  • methoxyphenols
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • primary alcohols
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • fatty acyl glycoside of mono- or disaccharide
  • phenol ether
  • monocyclic benzene moiety
  • methoxyphenol
  • monosaccharide
  • alpha,beta-unsaturated carboxylic ester
  • acetal
  • organonitrogen compound
  • oxane
  • organoheterocyclic compound
  • acetamide
  • enoate ester
  • alcohol
  • fatty acyl glycoside
  • methoxybenzene
  • secondary carboxylic acid amide
  • fatty acid ester
  • anisole
  • carboxylic acid ester
  • phenol
  • hydrocarbon derivative
  • phenoxy compound
  • fatty acyl
  • carbonyl group
  • beta-hydroxy aldehyde
  • ether
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • hydroxycinnamic acid or derivatives
  • n-acyl-alpha-hexosamine
  • cinnamic acid or derivatives
  • organic oxide
  • alpha-hydroxyaldehyde
  • organopnictogen compound
  • primary alcohol
  • aldehyde
  • carboxamide group
  • hydroxycinnamic acid
  • oxacycle
  • monocarboxylic acid or derivatives
  • secondary alcohol
  • benzenoid
  • organic nitrogen compound
  • alkyl glycoside