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CHEBI:8997 - Saikosaponin BK1

ChEBI IDCHEBI:8997
ChEBI NameSaikosaponin BK1
Stars
Last Modified16 February 2022
DownloadsMolfile
FormulaC48H78O17
Net Charge0
Average Mass927.135
Monoisotopic Mass926.52390
SMILES[H][C@]12C=CC3=C4CC(C)(C)CC[C@]4(CO)[C@H](O)C[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@H](O)[C@H]3O)CC[C@]21C
InChIInChI=1S/C48H78O17/c1-22-31(52)33(54)37(58)41(61-22)65-39-26(20-60-40-36(57)34(55)32(53)25(19-49)62-40)63-42(38(59)35(39)56)64-30-12-13-45(6)27(44(30,4)5)11-14-46(7)28(45)10-9-23-24-17-43(2,3)15-16-48(24,21-50)29(51)18-47(23,46)8/h9-10,22,25-42,49-59H,11-21H2,1-8H3/t22-,25+,26+,27-,28+,29+,30-,31-,32+,33+,34-,35+,36+,37+,38+,39+,40+,41-,42-,45-,46+,47+,48+/m0/s1
InChIKeyPYJMYPPFWASOJX-YSNVVKQWSA-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)
Saikosaponin BK1 (CHEBI:8997) is a saikosaponin (CHEBI:189705)
Synonym  Source
Saikosaponin BK1KEGG COMPOUND
Manual XrefsDatabases
C08976KEGG COMPOUND
C00003549KNApSAcK
Registry NumbersSources
CAS:110352-77-7KEGG COMPOUND