Modiolide E (CHEBI:226973)

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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	Modiolide E

ChEBI ID	CHEBI:226973

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H16O5

Net Charge

Average Mass

240.255

Monoisotopic Mass

240.09977

InChI

InChI=1S/C12H16O5/c1-8-7-11(17-9(2)13)5-3-10(14)4-6-12(15)16-8/h3-6,8,10-11,14H,7H2,1-2H3/b5-3+,6-4-/t8-,10-,11-/m1/s1

InChIKey

FOGLINAQDGTJSF-FQVZCSIUSA-N

SMILES

O=C1O[C@@H](C[C@H](OC(=O)C)C=C[C@H](C=C1)O)C

Metabolite of Species	Details
Paraconiothyrium (NCBI:txid300251)	See: PubMed

ChEBI Ontology
Outgoing	Modiolide E (CHEBI:226973) is a oxacycle (CHEBI:38104)

IUPAC Name

[(2R,4S,5E,7R,8Z)-7-hydroxy-2-methyl-10-oxo-2,3,4,7-tetrahydrooxecin-4-yl] acetate