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

Default Structure
ChEBI IDCHEBI:169328
ChEBI NameTaraxacolide 1-O-b-D-glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O9
Net Charge0
Average Mass428.478
Monoisotopic Mass428.20463
SMILESCC1C(=O)OC2C1CCC1(C)C(OC3OC(CO)C(O)C(O)C3O)CC(=O)C(C)C21
InChIInChI=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
InChIKeyZNBJBJUEJZNPLD-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)
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
Manual XrefsDatabases
HMDB0035610HMDB