Rezishanone C (CHEBI:207942)

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CHEBI:207942 - Rezishanone C

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ChEBI ID	CHEBI:207942
ChEBI Name	Rezishanone C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H24O5
Net Charge	0
Average Mass	320.385
Monoisotopic Mass	320.16237
SMILES	C/C=C/C=C/C(O)=C1\C(=O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1CC2OCC
InChI	InChI=1S/C18H24O5/c1-5-7-8-9-12(19)14-11-10-13(23-6-2)17(3,15(14)20)16(21)18(11,4)22/h5,7-9,11,13,19,22H,6,10H2,1-4H3/b7-5+,9-8+,14-12+/t11-,13?,17+,18-/m0/s1
InChIKey	OYVREVFYRWCTER-CWKZIXJYSA-N

Species of Metabolite	Component	Source	Comments
Penicillium chrysogenum (ncbitaxon:5076)	-	PubMed (15974609)

ChEBI Ontology

Outgoing Relation(s)
	Rezishanone C (CHEBI:207942) is a secondary α-hydroxy ketone (CHEBI:2468)

IUPAC Name
(1R,3S,4S,5E)-7-ethoxy-3-hydroxy-5-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-1,3-dimethylbicyclo[2.2.2]octane-2,6-dione

Manual Xrefs	Databases
78437903	ChemSpider