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CHEBI:69804 - aragoside

ChEBI IDCHEBI:69804
ChEBI Namearagoside
Stars
DefinitionA natural product found in Veronica lavaudiana.
Last Modified22 September 2014
DownloadsMolfile
FormulaC34H44O19
Net Charge0
Average Mass756.707
Monoisotopic Mass756.24768
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](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=2.0/3,3,2/[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]/1-2-3/a2-b1_a3-c1
InChIInChI=1S/C34H44O19/c35-12-23-27(44)28(45)29(46)33(49-23)53-31-30(51-25(43)6-3-15-1-4-17(37)19(39)9-15)24(13-36)50-34(32(31)52-26-11-21(41)22(42)14-48-26)47-8-7-16-2-5-18(38)20(40)10-16/h1-6,9-10,21-24,26-42,44-46H,7-8,11-14H2/b6-3+/t21-,22+,23-,24-,26+,27-,28+,29-,30-,31+,32-,33+,34-/m1/s1
InChIKeyIFKNAQLEQACEOH-YNQIJJLYSA-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)
aragoside (CHEBI:69804) has role metabolite (CHEBI:25212)
aragoside (CHEBI:69804) is a oligosaccharide (CHEBI:50699)
Citations