Bicoumanigrin (CHEBI:219324)

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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	Bicoumanigrin

ChEBI ID	CHEBI:219324

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C22H18O8

Net Charge

Average Mass

410.378

Monoisotopic Mass

410.10017

InChI

InChI=1S/C22H18O8/c1-9-5-11(23)7-13-15(9)19(24)17(21(25)29-13)18-20(28-4)16-10(2)6-12(27-3)8-14(16)30-22(18)26/h5-8,23-24H,1-4H3

InChIKey

LESVQQSUHUNTRC-UHFFFAOYSA-N

SMILES

O=C1OC2=C(C(=CC(=C2)OC)C)C(=C1C=3C(=O)OC=4C=C(O)C=C(C4C3O)C)OC

Metabolite of Species	Details
Aspergillus niger (NCBI:txid5061)	See: PubMed

ChEBI Ontology
Outgoing	Bicoumanigrin (CHEBI:219324) is a hydroxycoumarin (CHEBI:37912)

IUPAC Name

3-(4,7-dimethoxy-5-methyl-2-oxochromen-3-yl)-4,7-dihydroxy-5-methylchromen-2-one