(5E)-2-methyl-5-[(1'R*,5'R*)-2-methylidene-7-oxobicyclo[3.2.1]oct-6-ylidene]-4-oxopentanoic acid (CHEBI:227533)

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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	*(5E)-2-methyl-5-[(1'R,5'R)-2-methylidene-7-oxobicyclo[3.2.1]oct-6-ylidene]-4-oxopentanoic acid*

ChEBI ID	CHEBI:227533

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H18O4

Net Charge

Average Mass

262.305

Monoisotopic Mass

262.12051

InChI

InChI=1S/C15H18O4/c1-8-3-4-10-6-12(8)14(17)13(10)7-11(16)5-9(2)15(18)19/h7,9-10,12H,1,3-6H2,2H3,(H,18,19)/b13-7+/t9?,10-,12-/m1/s1

InChIKey

OFNHMEXSPYYSRR-MJACVCCFSA-N

SMILES

O=C1/C(=C/C(=O)CC(C(=O)O)C)/[C@@H]2CCC([C@H]1C2)=C

Metabolite of Species	Details
Emericellopsis minima (NCBI:txid45245)	See: DOI

ChEBI Ontology
Outgoing	(5E)-2-methyl-5-[(1'R,5'R)-2-methylidene-7-oxobicyclo[3.2.1]oct-6-ylidene]-4-oxopentanoic acid (CHEBI:227533) is a monoterpenoid (CHEBI:25409)

IUPAC Name

(5E)-2-methyl-5-[(1R,5R)-2-methylidene-7-oxo-6-bicyclo[3.2.1]octanylidene]-4-oxopentanoic acid