Epicoccalone (CHEBI:216519)

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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	Epicoccalone

ChEBI ID	CHEBI:216519

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H16O7

Net Charge

Average Mass

320.297

Monoisotopic Mass

320.08960

InChI

InChI=1S/C16H16O7/c1-6(8(3)18)12(19)10-4-9-11(5-17)7(2)13(20)14(21)15(9)23-16(10)22/h4,6,17,20-21H,5H2,1-3H3/t6-/m0/s1

InChIKey

KBIBOGJFVZOKCH-LURJTMIESA-N

SMILES

O=C1OC2=C(O)C(O)=C(C)C(=C2C=C1C(=O)[C@H](C(=O)C)C)CO

Metabolite of Species	Details
Epicoccumspecies (NCBI:txid1859956)	See: DOI

ChEBI Ontology
Outgoing	Epicoccalone (CHEBI:216519) is a hydroxycoumarin (CHEBI:37912)

IUPAC Name

1-[7,8-dihydroxy-5-(hydroxymethyl)-6-methyl-2-oxochromen-3-yl]-2-methylbutane-1,3-dione