demethylkotanin (CHEBI:64465)

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ChEBI Name	demethylkotanin

ChEBI ID	CHEBI:64465

Definition	A member of the class of 8,8'-bicoumarins that is kotanin in which the methoxy group at position 7 is replaced by a hydroxy group. A fungal metabolite, its isolation from Aspergillus clavatus was first reported in 1971.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C23H20O8

Net Charge

Average Mass

424.40010

Monoisotopic Mass

424.11582

InChI

InChI=1S/C23H20O8/c1-10-6-12(24)20(22-18(10)14(28-4)8-16(25)30-22)21-13(27-3)7-11(2)19-15(29-5)9-17(26)31-23(19)21/h6-9,24H,1-5H3

InChIKey

WNAATGJTLYDMRY-UHFFFAOYSA-N

SMILES

COc1cc(C)c2c(OC)cc(=O)oc2c1-c1c(O)cc(C)c2c(OC)cc(=O)oc12

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	demethylkotanin (CHEBI:64465) has functional parent orlandin (CHEBI:64473) demethylkotanin (CHEBI:64465) has role metabolite (CHEBI:25212) demethylkotanin (CHEBI:64465) is a 8,8'-bicoumarins (CHEBI:64462)

IUPAC Name

7-hydroxy-4,4',7'-trimethoxy-5,5'-dimethyl-2H,2'H-8,8'-bichromene-2,2'-dione

Synonym	Source
desmethylkotanin	ChEBI

Registry Number	Type	Source
1411948	Reaxys Registry Number	Reaxys

Last Modified

01 May 2012