CHEBI:3197 - Brusatol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Brusatol
ChEBI ID CHEBI:3197
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H32O11
Net Charge 0
Average Mass 520.527
Monoisotopic Mass 520.19446
InChI InChI=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
InChIKey ZZZYHIMVKOHVIH-VILODJCFSA-N
SMILES COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)C=C(C)C)C(=O)O[C@@H]3C[C@H]1C(C)=C(O)C(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O
ChEBI Ontology
Outgoing Brusatol (CHEBI:3197) is a triterpenoid (CHEBI:36615)
Synonym Source
Brusatol KEGG COMPOUND
Manual Xrefs Databases
C00003704 KNApSAcK
C08754 KEGG COMPOUND
View more database links
Registry Number Type Source
14907-98-3 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014