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CHEBI:67804 - 3-O-[alpha-L-arabinopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)-[beta-D-glucopyranosyl(1->2)]-beta-D-glucopyranoside echinocystic acid

ChEBI IDCHEBI:67804
ChEBI Name3-O-[alpha-L-arabinopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)-[beta-D-glucopyranosyl(1->2)]-beta-D-glucopyranoside echinocystic acid
Stars
DefinitionA natural product found in Albizia inundata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC52H84O22
Net Charge0
Average Mass1061.222
Monoisotopic Mass1060.54542
SMILES[H][C@@]1(O[C@@H]2[C@@H](O)[C@@H](O)CO[C@@]2([H])OC[C@H]2O[C@@]([H])(O[C@H]3CC[C@]4(C)[C@@]5([H])CC=C6[C@]7([H])CC(C)(C)CC[C@]7(C(=O)O)[C@H](O)C[C@@]6(C)[C@]5(C)CC[C@@]4([H])C3(C)C)[C@H](O[C@]3([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)OC[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C52H84O22/c1-47(2)14-15-52(46(65)66)23(16-47)22-8-9-29-49(5)12-11-31(48(3,4)28(49)10-13-50(29,6)51(22,7)17-30(52)56)72-45-41(74-43-39(64)36(61)34(59)26(18-53)70-43)37(62)35(60)27(71-45)21-69-44-40(33(58)25(55)20-68-44)73-42-38(63)32(57)24(54)19-67-42/h8,23-45,53-64H,9-21H2,1-7H3,(H,65,66)/t23-,24-,25-,26+,27+,28-,29+,30+,31-,32-,33-,34+,35+,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,49-,50+,51+,52+/m0/s1
InChIKeyAZFFBGWLLZUTDW-RABNPTKTSA-N
Species of MetaboliteComponentSourceComments
Albizia inundata (IPNI:989452-1) aerial part (BTO:0001658) PubMed (21314099) CH2Cl2-MeOH (1:1) extract of dried,ground biomass
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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)
3-O-[alpha-L-arabinopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)-[beta-D-glucopyranosyl(1->2)]-beta-D-glucopyranoside echinocystic acid (CHEBI:67804) has role metabolite (CHEBI:25212)
3-O-[alpha-L-arabinopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)-[beta-D-glucopyranosyl(1->2)]-beta-D-glucopyranoside echinocystic acid (CHEBI:67804) is a triterpenoid saponin (CHEBI:61778)
Synonym  Source
Pitheduloside KChEBI
Citations