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CHEBI:67800 - 3-O-[alpha-L-arabinopyranosyl(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl echinocystic acid

ChEBI IDCHEBI:67800
ChEBI Name3-O-[alpha-L-arabinopyranosyl(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl echinocystic acid
Stars
DefinitionA natural product found in Albizia inundata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC43H69NO13
Net Charge0
Average Mass808.019
Monoisotopic Mass807.47689
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)[C@H](O)C[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/C43H69NO13/c1-21(45)44-30-33(50)32(49)25(20-55-36-34(51)31(48)24(46)19-54-36)56-35(30)57-29-12-13-40(6)26(39(29,4)5)11-14-41(7)27(40)10-9-22-23-17-38(2,3)15-16-43(23,37(52)53)28(47)18-42(22,41)8/h9,23-36,46-51H,10-20H2,1-8H3,(H,44,45)(H,52,53)/t23-,24-,25+,26-,27+,28+,29-,30+,31-,32+,33+,34+,35-,36-,40-,41+,42+,43+/m0/s1
InChIKeyLRMCXUYYLPHGOS-CJXDOCFZSA-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 echinocystic acid (CHEBI:67800) has role metabolite (CHEBI:25212)
3-O-[alpha-L-arabinopyranosyl(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl echinocystic acid (CHEBI:67800) is a triterpenoid saponin (CHEBI:61778)
Citations