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CHEBI:5988 - Isobrucein B

Default Structure
ChEBI IDCHEBI:5988
ChEBI NameIsobrucein 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)=CC(=O)[C@@H](O)[C@]21C
InChIInChI=1S/C23H28O11/c1-8-5-11(25)17(27)21(3)10(8)6-12-22-7-32-23(20(30)31-4,18(28)13(26)15(21)22)16(22)14(19(29)34-12)33-9(2)24/h5,10,12-18,26-28H,6-7H2,1-4H3/t10-,12+,13+,14+,15+,16+,17+,18-,21-,22+,23-/m0/s1
InChIKeyWAYNIXHIORQRDI-RWLFMTGCSA-N
ChEBI Ontology
Outgoing Relation(s)
Isobrucein B (CHEBI:5988) is a triterpenoid (CHEBI:36615)
Synonym  Source
Isobrucein BKEGG COMPOUND
Manual XrefsDatabases
C00003718KNApSAcK
C08770KEGG COMPOUND
Registry NumbersSources
CAS:53663-03-9KEGG COMPOUND