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CHEBI:168895 - Taraxacoside

ChEBI IDCHEBI:168895
ChEBI NameTaraxacoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O10
Net Charge0
Average Mass398.364
Monoisotopic Mass398.12130
SMILESO=C1CC(OC2OC(CO)C(OC(=O)Cc3ccc(O)cc3)C(O)C2O)CO1
InChIInChI=1S/C18H22O10/c19-7-12-17(28-14(22)5-9-1-3-10(20)4-2-9)15(23)16(24)18(27-12)26-11-6-13(21)25-8-11/h1-4,11-12,15-20,23-24H,5-8H2
InChIKeyZNBBYALXAQXHJE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Taraxacoside (CHEBI:168895) is a glycoside (CHEBI:24400)
IUPAC Name 
[4,5-dihydroxy-2-(hydroxymethyl)-6-(5-oxooxolan-3-yl)oxyoxan-3-yl] 2-(4-hydroxyphenyl)acetate
Manual XrefsDatabases
HMDB0030055HMDB