Penicillipyrone B (CHEBI:204638)

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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	Penicillipyrone B

ChEBI ID	CHEBI:204638

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H26O4

Net Charge

Average Mass

330.424

Monoisotopic Mass

330.18311

InChI

InChI=1S/C20H26O4/c1-11-9-14(21)13-10-12-5-6-15-19(2,3)16(22)7-8-20(15,4)17(12)24-18(13)23-11/h9,12,15,17H,5-8,10H2,1-4H3/t12-,15-,17-,20-/m0/s1

InChIKey

CPKRFLHGFOUEQI-GKASHWOUSA-N

SMILES

O=C1C2=C(OC(=C1)C)O[C@@H]3[C@@]4([C@H](C(C(=O)CC4)(C)C)CC[C@H]3C2)C

Metabolite of Species	Details
Penicilliumspecies (NCBI:txid5081)	See: PubMed

ChEBI Ontology
Outgoing	Penicillipyrone B (CHEBI:204638) is a organic heterotricyclic compound (CHEBI:26979) Penicillipyrone B (CHEBI:204638) is a organooxygen compound (CHEBI:36963)

IUPAC Name

(1S,2S,7R,10S)-2,6,6,15-tetramethyl-16,18-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),14-diene-5,13-dione