Phomoxydiene C (CHEBI:224221)

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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	Phomoxydiene C

ChEBI ID	CHEBI:224221

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H14O3

Net Charge

Average Mass

230.263

Monoisotopic Mass

230.09429

InChI

InChI=1S/C14H14O3/c1-9-11(8-10-6-7-14(15)16-10)13-5-3-2-4-12(9)17-13/h2-9,11-13H,1H3/b10-8+/t9-,11+,12-,13+/m0/s1

InChIKey

YCZBPXQBANGRGF-DGVLQFKPSA-N

SMILES

O=C1O/C(=C/[C@H]2[C@@H]3O[C@H]([C@H]2C)C=CC=C3)/C=C1

Metabolite of Species	Details
Phomopsis (NCBI:txid34399)	See: DOI

ChEBI Ontology
Outgoing	Phomoxydiene C (CHEBI:224221) is a butenolide (CHEBI:50523)

IUPAC Name

(5E)-5-[[(1S,6R,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]methylidene]uran-2-one