Aspersclerotiorone A (CHEBI:214727)

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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	Aspersclerotiorone A

ChEBI ID	CHEBI:214727

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H16O5

Net Charge

Average Mass

264.277

Monoisotopic Mass

264.09977

InChI

InChI=1S/C14H16O5/c1-8(12-10(17-4)5-11(15)19-12)6-14(3)13(16)9(2)7-18-14/h5,7H,6H2,1-4H3/b12-8-/t14-/m1/s1

InChIKey

YPBGTCAQZMUIQD-ICDLMJIXSA-N

SMILES

O=C1O/C(=C(\C[C@]2(OC=C(C2=O)C)C)/C)/C(=C1)OC

Metabolite of Species	Details
Aspergillus (NCBI:txid5052)	See: PubMed

ChEBI Ontology
Outgoing	Aspersclerotiorone A (CHEBI:214727) is a butenolide (CHEBI:50523)

IUPAC Name

(2R)-2-[(2Z)-2-(3-methoxy-5-oxouran-2-ylidene)propyl]-2,4-dimethyluran-3-one