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CHEBI:69805 - Helioside A

ChEBI IDCHEBI:69805
ChEBI NameHelioside A
Stars
DefinitionA natural product found in Veronica lavaudiana.
Last Modified22 September 2014
DownloadsMolfile
FormulaC39H52O23
Net Charge0
Average Mass888.822
Monoisotopic Mass888.28994
SMILES[H]C1[C@@H](O)[C@@H](O)CO[C@@]1([H])O[C@H]1[C@H](OCCc2ccc(O)c(O)c2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1O[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
WURCSWURCS=2.0/4,4,3/[a2122h-1b_1-5_1*OCC(CCCCCC$5/8)O(/7)O_4*OCC=^EC(CCCCCC$6/9)O(/8)O/3=O][ad11h-1a_1-5][a2122h-1b_1-5][a212h-1b_1-5]/1-2-3-4/a2-b1_a3-c1_a6-d1
InChIInChI=1S/C39H52O23/c40-12-25-30(50)31(51)33(53)38(58-25)62-35-34(60-27(48)6-3-16-1-4-18(41)20(43)9-16)26(15-57-37-32(52)29(49)24(47)14-56-37)59-39(36(35)61-28-11-22(45)23(46)13-55-28)54-8-7-17-2-5-19(42)21(44)10-17/h1-6,9-10,22-26,28-47,49-53H,7-8,11-15H2/b6-3+/t22-,23+,24-,25-,26-,28+,29+,30-,31+,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1
InChIKeySEZVTKPMWFBELW-OYSOTEDGSA-N
Species of MetaboliteComponentSourceComments
Veronica lavaudiana (ncbitaxon:124267) - PubMed (21568305) MeOH extract of plant material
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Helioside A (CHEBI:69805) has role metabolite (CHEBI:25212)
Helioside A (CHEBI:69805) is a oligosaccharide (CHEBI:50699)
Citations