CHEBI:218539 - Rezishanone B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Rezishanone B
ChEBI ID CHEBI:218539
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H28O5
Net Charge 0
Average Mass 348.439
Monoisotopic Mass 348.19367
InChI InChI=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
InChIKey SSIULBZZANASKU-KAQAKNCJSA-N
SMILES O=C1/C(=C(/O)\C=C\C=C\C)/[C@H]2[C@@](O)(C)C([C@@]1(C(OCCCC)C2)C)=O
Metabolite of Species Details
Penicillium chrysogenum (NCBI:txid5076) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78438159 ChemSpider
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