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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:39 UTC
Update Date2025-03-25 00:58:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02230194
Frequency0.5
Structure
Chemical FormulaC19H27NO7
Molecular Mass381.1788
SMILESCN(C)C1C(Oc2ccc(CC3CCC(=O)O3)cc2)OC(CO)C(O)C1O
InChI KeyAVRNMQLRXWNVEW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent aminoglycosides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • acetals
  • alkyl glycosides
  • amino acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • fatty acyl glycosides of mono- and disaccharides
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
  • trialkylamines
  • Substituents
  • fatty acyl glycoside of mono- or disaccharide
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • monosaccharide
  • carboxylic acid derivative
  • lactone
  • organic oxide
  • acetal
  • organonitrogen compound
  • aminoglycoside core
  • organopnictogen compound
  • oxane
  • primary alcohol
  • tertiary amine
  • organoheterocyclic compound
  • alcohol
  • 1,2-aminoalcohol
  • tetrahydrofuran
  • tertiary aliphatic amine
  • gamma butyrolactone
  • oxacycle
  • monocarboxylic acid or derivatives
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • alkyl glycoside