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

ChEBI IDCHEBI:87292
ChEBI Name3,3-dimethoxy-1-phenylpropane-1,2-dione
Stars
DefinitionAn α-diketone that is 1-phenyl-1,2-propanedione substituted by two methoxy groups at position 3.
Last Modified2 September 2015
Submitternamrata
DownloadsMolfile
FormulaC11H12O4
Net Charge0
Average Mass208.213
Monoisotopic Mass208.07356
SMILESCOC(OC)C(=O)C(=O)c1ccccc1
InChIInChI=1S/C11H12O4/c1-14-11(15-2)10(13)9(12)8-6-4-3-5-7-8/h3-7,11H,1-2H3
InChIKeyIUNQJUIIJBHXDU-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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 aromatic ketone (CHEBI:76224)
3,3-dimethoxy-1-phenylpropane-1,2-dione (CHEBI:87292) is a ether (CHEBI:25698)
3,3-dimethoxy-1-phenylpropane-1,2-dione (CHEBI:87292) is a α-diketone (CHEBI:51869)
IUPAC Name 
3,3-dimethoxy-1-phenylpropane-1,2-dione
Registry NumbersSources
Reaxys:4743805Reaxys