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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:54 UTC
Update Date2025-03-25 00:53:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02201066
Frequency0.5
Structure
Chemical FormulaC27H33NO11
Molecular Mass547.2054
SMILESCOc1cc(CC2C(=O)NCCC2Cc2ccc(OC)c(OC3OC(C(=O)O)C(O)C(O)C3O)c2)ccc1O
InChI KeyBPHCMDVVRHVDFX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent o-glucuronides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 3-benzylpiperidines
  • 4-benzylpiperidines
  • acetals
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • delta lactams
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • piperidinones
  • pyran carboxylic acids
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • lactam
  • carboxylic acid
  • o-glucuronide
  • methoxyphenol
  • monosaccharide
  • pyran carboxylic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • acetal
  • organonitrogen compound
  • piperidinone
  • oxane
  • organoheterocyclic compound
  • alcohol
  • benzylpiperidine
  • azacycle
  • methoxybenzene
  • delta-lactam
  • secondary carboxylic acid amide
  • anisole
  • phenol
  • hydrocarbon derivative
  • phenoxy compound
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • 3-benzylpiperidine
  • organic oxide
  • organopnictogen compound
  • piperidine
  • 4-benzylpiperidine
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • carboxamide group
  • oxacycle
  • monocarboxylic acid or derivatives
  • pyran
  • secondary alcohol
  • benzenoid
  • organic nitrogen compound