EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:67798 - 3-O-[alpha-L-arabinopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl oleanolic acid

ChEBI IDCHEBI:67798
ChEBI Name3-O-[alpha-L-arabinopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl oleanolic acid
Stars
DefinitionA natural product found in Albizia inundata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC43H69NO12
Net Charge0
Average Mass792.020
Monoisotopic Mass791.48198
SMILES[H][C@@]1(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)CC[C@@]6(C)[C@]5(C)CC[C@@]4([H])C3(C)C)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O)OC[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C43H69NO12/c1-22(45)44-30-33(49)32(48)26(21-54-36-34(50)31(47)25(46)20-53-36)55-35(30)56-29-12-13-40(6)27(39(29,4)5)11-14-42(8)28(40)10-9-23-24-19-38(2,3)15-17-43(24,37(51)52)18-16-41(23,42)7/h9,24-36,46-50H,10-21H2,1-8H3,(H,44,45)(H,51,52)/t24-,25-,26+,27-,28+,29-,30+,31-,32+,33+,34+,35-,36-,40-,41+,42+,43-/m0/s1
InChIKeyMBMJMOODCJFAET-NLZUOQEQSA-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->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl oleanolic acid (CHEBI:67798) has role metabolite (CHEBI:25212)
3-O-[alpha-L-arabinopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl oleanolic acid (CHEBI:67798) is a triterpenoid saponin (CHEBI:61778)
Citations