Penicillospirone (CHEBI:206591)

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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	Penicillospirone

ChEBI ID	CHEBI:206591

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H16O5

Net Charge

Average Mass

252.266

Monoisotopic Mass

252.09977

InChI

InChI=1S/C13H16O5/c1-3-4-8-5-6-9(14)11(16)13(8)10(15)7(2)18-12(13)17/h3-8,10-11,15-16H,1-2H3/b4-3+/t7-,8-,10+,11+,13+/m1/s1

InChIKey

KRDUCTYOAPQUHL-MDJBZBTRSA-N

SMILES

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

Metabolite of Species	Details
Penicillium (NCBI:txid5073)	See: PubMed

ChEBI Ontology
Outgoing	Penicillospirone (CHEBI:206591) is a cyclohexenones (CHEBI:48953)

IUPAC Name

(3R,4R,5S,6R,10R)-4,6-dihydroxy-3-methyl-10-[(E)-prop-1-enyl]-2-oxaspiro[4.5]dec-8-ene-1,7-dione