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CHEBI:190037 - Cofaryloside

ChEBI IDCHEBI:190037
ChEBI NameCofaryloside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H42O10
Net Charge0
Average Mass514.612
Monoisotopic Mass514.27780
SMILES[H][C@@]12CC[C@]3(O)[C@@](CC[C@@]4([H])[C@@]3(C)CCC[C@@]4(C)C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)(C1)C[C@]2(O)CO
InChIInChI=1S/C26H42O10/c1-22(21(32)36-20-19(31)18(30)17(29)15(11-27)35-20)6-3-7-23(2)16(22)5-8-24-10-14(4-9-26(23,24)34)25(33,12-24)13-28/h14-20,27-31,33-34H,3-13H2,1-2H3/t14-,15-,16-,17-,18+,19-,20+,22-,23-,24+,25+,26-/m1/s1
InChIKeyVEZJUFUSLIUNOY-XTXOPGGVSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
Cofaryloside (CHEBI:190037) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4S,5R,9R,10S,13R,14R)-10,14-dihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate