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CHEBI:3190 - Bruceine B

Default Structure
ChEBI IDCHEBI:3190
ChEBI NameBruceine B
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC23H28O11
Net Charge0
Average Mass480.466
Monoisotopic Mass480.16316
SMILES[H][C@]12[C@@H](O)[C@H](O)[C@@]3(C(=O)OC)OC[C@]14[C@@]3([H])[C@@H](OC(C)=O)C(=O)O[C@]4([H])C[C@@]1([H])C(C)=C(O)C(=O)C[C@]21C
InChIInChI=1S/C23H28O11/c1-8-10-5-12-22-7-32-23(20(30)31-4,17(22)15(19(29)34-12)33-9(2)24)18(28)14(27)16(22)21(10,3)6-11(25)13(8)26/h10,12,14-18,26-28H,5-7H2,1-4H3/t10-,12+,14+,15+,16+,17+,18-,21-,22+,23-/m0/s1
InChIKeyYDWODLQEUPYKGJ-LZFWDZGBSA-N
ChEBI Ontology
Outgoing Relation(s)
Bruceine B (CHEBI:3190) is a triterpenoid (CHEBI:36615)
Synonym  Source
Bruceine BKEGG COMPOUND
Manual XrefsDatabases
C00003701KNApSAcK
C08751KEGG COMPOUND
Registry NumbersSources
CAS:25514-29-8KEGG COMPOUND