EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:81171 - Chikusetsusaponin Ia

ChEBI IDCHEBI:81171
ChEBI NameChikusetsusaponin Ia
Stars
DownloadsMolfile
FormulaC41H70O12
Net Charge0
Average Mass754.999
Monoisotopic Mass754.48673
SMILESCC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(COC5OCC(O)C(O)C5O)C(O)C(O)C4O)C(C)(C)C3CCC12C
InChIInChI=1S/C41H70O12/c1-21(2)10-9-14-41(8,49)22-11-16-40(7)29(22)23(42)18-27-38(5)15-13-28(37(3,4)26(38)12-17-39(27,40)6)53-36-34(48)32(46)31(45)25(52-36)20-51-35-33(47)30(44)24(43)19-50-35/h10,22-36,42-49H,9,11-20H2,1-8H3
InChIKeyDGSOBIYFLJXVQZ-UHFFFAOYSA-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)
Chikusetsusaponin Ia (CHEBI:81171) is a steroid saponin (CHEBI:61655)
Manual XrefsDatabases
C17544KEGG COMPOUND
HMDB0034994HMDB