Kissoones A (CHEBI:186975)

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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	Kissoones A

ChEBI ID	CHEBI:186975

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information	ChemicalBook:CB5855401, ZINC000005854633

Download	Molfile XML SDF

Formula

C15H22O

Net Charge

Average Mass

218.340

Monoisotopic Mass

218.16707

InChI

InChI=1S/C15H22O/c1-11-5-4-6-12(16)8-10-14-13(9-7-11)15(14,2)3/h5,8,10,13-14H,4,6-7,9H2,1-3H3/b10-8-,11-5-/t13-,14+/m1/s1

InChIKey

WCZCSOXIWRFHNZ-UPQREJAMSA-N

SMILES

O=C1C=C[C@@]2(C([C@@]2(CCC(=CCC1)C)[H])(C)C)[H]

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

ChEBI Ontology
Outgoing	Kissoones A (CHEBI:186975) is a cyclic ketone (CHEBI:3992)

IUPAC Name

(1S,2Z,7Z,11R)-8,12,12-trimethylbicyclo[9.1.0]dodeca-2,7-dien-4-one