3,3-dimethoxy-1-phenylpropane-1,2-dione (CHEBI:87292)

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ChEBI Name	3,3-dimethoxy-1-phenylpropane-1,2-dione

ChEBI ID	CHEBI:87292

Definition	An α-diketone that is 1-phenyl-1,2-propanedione substituted by two methoxy groups at position 3.

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

Supplier Information

Download	Molfile XML SDF

Formula

C11H12O4

Net Charge

Average Mass

208.21060

Monoisotopic Mass

208.07356

InChI

InChI=1S/C11H12O4/c1-14-11(15-2)10(13)9(12)8-6-4-3-5-7-8/h3-7,11H,1-2H3

InChIKey

IUNQJUIIJBHXDU-UHFFFAOYSA-N

SMILES

COC(OC)C(=O)C(=O)c1ccccc1

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	3,3-dimethoxy-1-phenylpropane-1,2-dione (CHEBI:87292) has role metabolite (CHEBI:25212) 3,3-dimethoxy-1-phenylpropane-1,2-dione (CHEBI:87292) is a α-diketone (CHEBI:51869) 3,3-dimethoxy-1-phenylpropane-1,2-dione (CHEBI:87292) is a aromatic ketone (CHEBI:76224) 3,3-dimethoxy-1-phenylpropane-1,2-dione (CHEBI:87292) is a ether (CHEBI:25698)

IUPAC Name

3,3-dimethoxy-1-phenylpropane-1,2-dione

Registry Number	Type	Source
4743805	Reaxys Registry Number	Reaxys

Last Modified

02 September 2015