Hmdb loader

Showing information for DMID01446434

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:41:32 UTC
Update Date2025-03-24 20:26:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01446434
Frequency0.9
Structure
Chemical FormulaC41H60N2O27
Molecular Mass1012.3383
SMILESCOc1cc(C=CC(=O)OC2OC(CO)C(O)C(OC3OC(CO)C(OC4OC(COC5(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O5)C(O)C(O)C4O)C(O)C3NC(C)=O)C2O)ccc1O
InChI KeyAMOLXGWCXWRXKK-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
  • acetamides
  • alkyl aryl ethers
  • anisoles
  • c-glucuronides
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • enoate esters
  • fatty acid esters
  • hydrocarbon derivatives
  • hydroxycinnamic acids
  • ketals
  • methoxybenzenes
  • methoxyphenols
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • primary alcohols
  • pyran carboxylic acids
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carboxylic acid
  • methoxyphenol
  • monosaccharide
  • pyran carboxylic acid
  • alpha,beta-unsaturated carboxylic ester
  • acetal
  • ketal
  • organonitrogen compound
  • oxane
  • organoheterocyclic compound
  • acetamide
  • enoate ester
  • c-glucuronide
  • alcohol
  • methoxybenzene
  • secondary carboxylic acid amide
  • fatty acid ester
  • anisole
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • phenoxy compound
  • fatty acyl
  • carbonyl group
  • 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
  • organopnictogen compound
  • primary alcohol
  • pyran carboxylic acid or derivatives
  • carboxamide group
  • hydroxycinnamic acid
  • oxacycle
  • pyran
  • secondary alcohol
  • benzenoid
  • organic nitrogen compound