Phomaligadione B (CHEBI:206520)

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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	Phomaligadione B

ChEBI ID	CHEBI:206520

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H20O5

Net Charge

Average Mass

268.309

Monoisotopic Mass

268.13107

InChI

InChI=1S/C14H20O5/c1-6-8(2)13(17)19-14(4)11(15)7-10(18-5)9(3)12(14)16/h8H,6-7H2,1-5H3/t8?,14-/m1/s1

InChIKey

NYKNLDBQDASCRB-NVDIHYKVSA-N

SMILES

O=C1C(=C(OC)CC([C@]1(OC(=O)C(CC)C)C)=O)C

Metabolite of Species	Details
Phoma (NCBI:txid37463)	See: DOI

ChEBI Ontology
Outgoing	Phomaligadione B (CHEBI:206520) is a benzoquinones (CHEBI:22729) Phomaligadione B (CHEBI:206520) is a quinone (CHEBI:36141)

IUPAC Name

[(1R)-4-methoxy-1,3-dimethyl-2,6-dioxocyclohex-3-en-1-yl] 2-methylbutanoate