5,6,7-trimethoxycoumarin (CHEBI:28126)

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ChEBI Name	5,6,7-trimethoxycoumarin

ChEBI ID	CHEBI:28126

Definition	A member of the class of coumarins that is coumarin substituted by methoxy groups at positions 5, 6 and 7.

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

Secondary ChEBI IDs	CHEBI:1993, CHEBI:20508

Supplier Information

Download	Molfile XML SDF

Formula

C12H12O5

Net Charge

Average Mass

236.22070

Monoisotopic Mass

236.06847

InChI

InChI=1S/C12H12O5/c1-14-9-6-8-7(4-5-10(13)17-8)11(15-2)12(9)16-3/h4-6H,1-3H3

InChIKey

FOBNRKTURPWTQX-UHFFFAOYSA-N

SMILES

COc1cc2oc(=O)ccc2c(OC)c1OC

Roles Classification
Biological Role(s):	antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	5,6,7-trimethoxycoumarin (CHEBI:28126) has functional parent coumarin (CHEBI:28794) 5,6,7-trimethoxycoumarin (CHEBI:28126) has role antibacterial agent (CHEBI:33282) 5,6,7-trimethoxycoumarin (CHEBI:28126) has role metabolite (CHEBI:25212) 5,6,7-trimethoxycoumarin (CHEBI:28126) is a aromatic ether (CHEBI:35618) 5,6,7-trimethoxycoumarin (CHEBI:28126) is a coumarins (CHEBI:23403)

IUPAC Name

5,6,7-trimethoxy-2H-chromen-2-one

Last Modified

28 July 2014