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CHEBI:3192 - Bruceoside A

ChEBI IDCHEBI:3192
ChEBI NameBruceoside A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC32H42O16
Net Charge0
Average Mass682.672
Monoisotopic Mass682.24729
SMILES[H][C@]12[C@@H](O)[C@H](O)[C@@]3(C(=O)OC)OC[C@]14[C@@]3([H])[C@@H](OC(=O)C=C(C)C)C(=O)O[C@]4([H])C[C@@]1([H])[C@H](C)C(=O)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C[C@]21C
InChIInChI=1S/C32H42O16/c1-11(2)6-17(34)48-23-25-31-10-44-32(25,29(42)43-5)26(40)22(39)24(31)30(4)8-14(18(35)12(3)13(30)7-16(31)47-27(23)41)45-28-21(38)20(37)19(36)15(9-33)46-28/h6,8,12-13,15-16,19-26,28,33,36-40H,7,9-10H2,1-5H3/t12-,13-,15+,16+,19+,20-,21+,22+,23+,24+,25+,26-,28+,30-,31+,32-/m0/s1
InChIKeyAKSGLPBROCFVSE-TUHDNREHSA-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)
Bruceoside A (CHEBI:3192) is a triterpenoid saponin (CHEBI:61778)
Synonym  Source
Bruceoside AKEGG COMPOUND
Manual XrefsDatabases
C08753KEGG COMPOUND
C00003703KNApSAcK
Registry NumbersSources
CAS:63306-30-9KEGG COMPOUND