11,12-epoxy-5,6-seco-1,6(13)-tremuladien-5,12-olide (CHEBI:220390)

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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	11,12-epoxy-5,6-seco-1,6(13)-tremuladien-5,12-olide

ChEBI ID	CHEBI:220390

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H20O3

Net Charge

Average Mass

248.322

Monoisotopic Mass

248.14124

InChI

InChI=1S/C15H20O3/c1-4-9-6-15(2,3)7-11(9)12-8-17-14-10(12)5-13(16)18-14/h4,9-10,14H,1,5-8H2,2-3H3/t9-,10-,14-/m0/s1

InChIKey

PNOOHEYPHBCQQK-BHDSKKPTSA-N

SMILES

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

Metabolite of Species	Details
Colletotrichum truncatum (NCBI:txid5467)	See: PubMed

ChEBI Ontology
Outgoing	11,12-epoxy-5,6-seco-1,6(13)-tremuladien-5,12-olide (CHEBI:220390) is a furofuran (CHEBI:47790)

IUPAC Name

(3aS,6aS)-3-[(2R)-2-ethenyl-4,4-dimethylcyclopentylidene]-4,6a-dihydro-3aH-uro[2,3-b]uran-5-one