Taraxacolide 1-O-b-D-glucopyranoside (CHEBI:169328)

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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	Taraxacolide 1-O-b-D-glucopyranoside

ChEBI ID	CHEBI:169328

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H32O9

Net Charge

Average Mass

428.478

Monoisotopic Mass

428.20463

InChI

InChI=1S/C21H32O9/c1-8-10-4-5-21(3)13(6-11(23)9(2)14(21)18(10)30-19(8)27)29-20-17(26)16(25)15(24)12(7-22)28-20/h8-10,12-18,20,22,24-26H,4-7H2,1-3H3

InChIKey

ZNBJBJUEJZNPLD-UHFFFAOYSA-N

SMILES

O1C2C3C(CCC2C(C1=O)C)(C(OC4OC(C(O)C(O)C4O)CO)CC(=O)C3C)C

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	Taraxacolide 1-O-b-D-glucopyranoside (CHEBI:169328) is a sesquiterpene lactone (CHEBI:37667)

IUPAC Name

3,5a,9-trimethyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6,7,9,9a,9b-octahydro-3H-benzo[g][1]benzouran-2,8-dione