EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:3197 - Brusatol

Default Structure
ChEBI IDCHEBI:3197
ChEBI NameBrusatol
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC26H32O11
Net Charge0
Average Mass520.531
Monoisotopic Mass520.19446
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(C)=C(O)C(=O)C[C@]21C
InChIInChI=1S/C26H32O11/c1-10(2)6-15(28)37-18-20-25-9-35-26(20,23(33)34-5)21(31)17(30)19(25)24(4)8-13(27)16(29)11(3)12(24)7-14(25)36-22(18)32/h6,12,14,17-21,29-31H,7-9H2,1-5H3/t12-,14+,17+,18+,19+,20+,21-,24-,25+,26-/m0/s1
InChIKeyZZZYHIMVKOHVIH-VILODJCFSA-N
ChEBI Ontology
Outgoing Relation(s)
Brusatol (CHEBI:3197) is a triterpenoid (CHEBI:36615)
Synonym  Source
BrusatolKEGG COMPOUND
Manual XrefsDatabases
C00003704KNApSAcK
C08754KEGG COMPOUND
Registry NumbersSources
CAS:14907-98-3KEGG COMPOUND