Taraxacoside (CHEBI:168895)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Taraxacoside

ChEBI ID	CHEBI:168895

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H22O10

Net Charge

Average Mass

398.364

Monoisotopic Mass

398.12130

InChI

InChI=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

InChIKey

ZNBBYALXAQXHJE-UHFFFAOYSA-N

SMILES

O1C(C(OC(=O)CC2=CC=C(O)C=C2)C(O)C(O)C1OC3CC(OC3)=O)CO

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

ChEBI Ontology
Outgoing	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