EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:218539 - Rezishanone B

ChEBI IDCHEBI:218539
ChEBI NameRezishanone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O5
Net Charge0
Average Mass348.439
Monoisotopic Mass348.19367
SMILESC/C=C/C=C/C(O)=C1\C(=O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1CC2OCCCC
InChIInChI=1S/C20H28O5/c1-5-7-9-10-14(21)16-13-12-15(25-11-8-6-2)19(3,17(16)22)18(23)20(13,4)24/h5,7,9-10,13,15,21,24H,6,8,11-12H2,1-4H3/b7-5+,10-9+,16-14+/t13-,15?,19+,20-/m0/s1
InChIKeySSIULBZZANASKU-KAQAKNCJSA-N
Species of MetaboliteComponentSourceComments
Penicillium chrysogenum (ncbitaxon:5076) - PubMed (15974609)
ChEBI Ontology
Outgoing Relation(s)
Rezishanone B (CHEBI:218539) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name 
(1R,3S,4S,5E)-7-butoxy-3-hydroxy-5-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-1,3-dimethylbicyclo[2.2.2]octane-2,6-dione
Manual XrefsDatabases
78438159ChemSpider