Panepoxydione (CHEBI:199107)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	Panepoxydione

ChEBI ID	CHEBI:199107

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H12O4

Net Charge

Average Mass

208.213

Monoisotopic Mass

208.07356

InChI

InChI=1S/C11H12O4/c1-5(2)3-7(12)6-4-8(13)10-11(15-10)9(6)14/h3-4,7,10-12H,1-2H3/t7-,10+,11-/m1/s1

InChIKey

SPHYQDXGWOASKY-PPKCKEKNSA-N

SMILES

O=C1C(=CC(=O)[C@H]2[C@@H]1O2)[C@H](O)C=C(C)C

Metabolite of Species	Details
Panusspecies (NCBI:txid1916371)	See: DOI

ChEBI Ontology
Outgoing	Panepoxydione (CHEBI:199107) is a cyclohexenones (CHEBI:48953)

IUPAC Name

(1S,6R)-3-[(1R)-1-hydroxy-3-methylbut-2-enyl]-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione