(4Z,7Z)-5,9,9-Trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione (CHEBI:181340)

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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	(4Z,7Z)-5,9,9-Trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione

ChEBI ID	CHEBI:181340

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H18O3

Net Charge

Average Mass

246.306

Monoisotopic Mass

246.12559

InChI

InChI=1S/C15H18O3/c1-10-5-4-6-11-9-13(18-14(11)17)15(2,3)8-7-12(10)16/h5,7-9,13H,4,6H2,1-3H3/b8-7-,10-5-

InChIKey

CAHQQYHQUHYOGU-JCPYGFQFSA-N

SMILES

O1C2C(C)(C)C=CC(=O)C(=CCCC(=C2)C1=O)C

ChEBI Ontology
Outgoing	(4Z,7Z)-5,9,9-Trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione (CHEBI:181340) is a butenolide (CHEBI:50523)

IUPAC Name

(4Z,7Z)-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione