(8beta)-sclerotiorumin B (CHEBI:206164)

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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	(8beta)-sclerotiorumin B

ChEBI ID	CHEBI:206164

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H20O5

Net Charge

Average Mass

280.320

Monoisotopic Mass

280.13107

InChI

InChI=1S/C15H20O5/c1-9-8-19-14(3,13(9)17)7-10(2)15(4)11(18-5)6-12(16)20-15/h6,8,10H,7H2,1-5H3/t10-,14-,15+/m0/s1

InChIKey

QXAUZMZXKNZQNY-NZVBXONLSA-N

SMILES

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

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

ChEBI Ontology
Outgoing	(8beta)-sclerotiorumin B (CHEBI:206164) is a butenolide (CHEBI:50523)

IUPAC Name

(5R)-5-[(2S)-1-[(2S)-2,4-dimethyl-3-oxouran-2-yl]propan-2-yl]-4-methoxy-5-methyluran-2-one