EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:8692 - Quassin

Default Structure
ChEBI IDCHEBI:8692
ChEBI NameQuassin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC22H28O6
Net Charge0
Average Mass388.460
Monoisotopic Mass388.18859
SMILES[H][C@@]12C(=O)C(OC)=C(C)[C@]3([H])CC(=O)O[C@]([H])(C[C@@]4([H])[C@H](C)C=C(OC)C(=O)[C@]14C)[C@]23C
InChIInChI=1S/C22H28O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15,19H,8-9H2,1-6H3/t10-,12+,13+,15-,19+,21-,22+/m1/s1
InChIKeyIOSXSVZRTUWBHC-LBTVDEKVSA-N
ChEBI Ontology
Outgoing Relation(s)
Quassin (CHEBI:8692) is a triterpenoid (CHEBI:36615)
Synonyms  Source
Nigakilactone DKEGG COMPOUND
QuassinKEGG COMPOUND
Manual XrefsDatabases
C00003726KNApSAcK
C08778KEGG COMPOUND
Registry NumbersSources
CAS:76-78-8KEGG COMPOUND