Setosphapyrone A (CHEBI:210069)

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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	Setosphapyrone A

ChEBI ID	CHEBI:210069

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H16O4

Net Charge

Average Mass

212.245

Monoisotopic Mass

212.10486

InChI

InChI=1S/C11H16O4/c1-4-8(12)5-9-7(2)15-11(13)6-10(9)14-3/h6,8,12H,4-5H2,1-3H3/t8-/m0/s1

InChIKey

GREACTBPWIMMPJ-QMMMGPOBSA-N

SMILES

O=C1OC(=C(C[C@@H](O)CC)C(=C1)OC)C

Metabolite of Species	Details
Exserohilum (NCBI:txid91493)	See: PubMed

ChEBI Ontology
Outgoing	Setosphapyrone A (CHEBI:210069) is a pyranone (CHEBI:37963)

IUPAC Name

5-(2-hydroxybutyl)-4-methoxy-6-methylpyran-2-one