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CHEBI:7739 - Oleanoglycotoxin-A

ChEBI IDCHEBI:7739
ChEBI NameOleanoglycotoxin-A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC48H78O18
Net Charge0
Average Mass943.134
Monoisotopic Mass942.51882
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)O)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]21C
InChIInChI=1S/C48H78O18/c1-43(2)14-16-48(42(59)60)17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(44(3,4)27(45)10-13-47(28,46)7)64-41-38(66-40-35(57)33(55)31(53)25(20-50)62-40)36(58)37(26(21-51)63-41)65-39-34(56)32(54)30(52)24(19-49)61-39/h8,23-41,49-58H,9-21H2,1-7H3,(H,59,60)/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
InChIKeyIPJFUYXEIWFMMG-ZFZFIKJNSA-N
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)
Oleanoglycotoxin-A (CHEBI:7739) is a triterpenoid saponin (CHEBI:61778)
Synonym  Source
Oleanoglycotoxin-AKEGG COMPOUND
Manual XrefsDatabases
C08963KEGG COMPOUND
C00003537KNApSAcK
Registry NumbersSources
CAS:50657-29-9KEGG COMPOUND