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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:23:20 UTC
Update Date2025-03-25 00:40:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02117242
Frequency0.6
Structure
Chemical FormulaC37H59NO24
Molecular Mass901.3427
SMILESCOc1cc(CC(OC2OC(CO)C(O)C(OC3OC(CO)C(OC4OC(C)C(O)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4O)C3NC(C)=O)C2O)C(O)CO)ccc1O
InChI KeyIJBIFZFVVQSGTE-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
  • anisoles
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • primary alcohols
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • monosaccharide
  • alkyl aryl ether
  • carboxylic acid derivative
  • n-acyl-alpha-hexosamine
  • organic oxide
  • acetal
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • alcohol
  • carboxamide group
  • methoxybenzene
  • oxacycle
  • secondary carboxylic acid amide
  • anisole
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound