EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:67799 - 3-O-[alpha-L-arabinopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl acacic acid lactone

ChEBI IDCHEBI:67799
ChEBI Name3-O-[alpha-L-arabinopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl acacic acid lactone
Stars
DefinitionA natural product found in Albizia inundata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC48H75NO17
Net Charge0
Average Mass938.118
Monoisotopic Mass937.50350
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)[C@]8([H])C[C@]7(C(=O)O8)[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/C48H75NO17/c1-21(50)49-32-36(57)35(56)26(20-62-41-38(34(55)25(52)19-61-41)66-40-37(58)33(54)24(51)18-60-40)63-39(32)64-30-12-13-45(6)27(44(30,4)5)11-14-46(7)28(45)10-9-22-23-15-43(2,3)31-17-48(23,42(59)65-31)29(53)16-47(22,46)8/h9,23-41,51-58H,10-20H2,1-8H3,(H,49,50)/t23-,24-,25-,26+,27-,28+,29+,30-,31-,32+,33-,34-,35+,36+,37+,38+,39-,40-,41-,45-,46+,47+,48+/m0/s1
InChIKeyHCPJVMUCDGEUPL-KJFQBVHNSA-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)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl acacic acid lactone (CHEBI:67799) has role metabolite (CHEBI:25212)
3-O-[alpha-L-arabinopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl acacic acid lactone (CHEBI:67799) is a triterpenoid saponin (CHEBI:61778)
Citations