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CHEBI:69806 - Helioside B

ChEBI IDCHEBI:69806
ChEBI NameHelioside B
Stars
DefinitionA natural product found in Veronica lavaudiana.
Last Modified22 September 2014
DownloadsMolfile
FormulaC48H58O26
Net Charge0
Average Mass1050.966
Monoisotopic Mass1050.32163
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](COC(=O)/C=C/c2ccc(O)c(O)c2)[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_6*OCC=^EC(CCCCCC$6/9)O(/8)O/3=O][a212h-1b_1-5]/1-2-3-4/a2-b1_a3-c1_a6-d1
InChIInChI=1S/C48H58O26/c49-24-6-1-21(13-27(24)52)4-9-35(58)66-19-33-39(61)40(62)42(64)47(70-33)74-44-43(72-36(59)10-5-22-2-7-25(50)28(53)14-22)34(20-69-46-41(63)38(60)32(57)18-68-46)71-48(45(44)73-37-16-30(55)31(56)17-67-37)65-12-11-23-3-8-26(51)29(54)15-23/h1-10,13-15,30-34,37-57,60-64H,11-12,16-20H2/b9-4+,10-5+/t30-,31+,32-,33-,34-,37+,38+,39-,40+,41-,42-,43-,44+,45-,46+,47+,48-/m1/s1
InChIKeyUZUNMWHJNBAJIX-XFBBSANVSA-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 B (CHEBI:69806) has role metabolite (CHEBI:25212)
Helioside B (CHEBI:69806) is a oligosaccharide (CHEBI:50699)
Citations