Marvin  08301318042D          

 17 18  0  0  0  0            999 V2000
    7.8910   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8910   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1764   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1764   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4620   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4620   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6054   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3200   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0344   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7489   -7.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4633   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7489   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1779   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4633   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1778   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6054   -5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0344   -5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
 13 11  2  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 15 14  2  0  0  0  0
  9 10  1  0  0  0  0
  7 16  2  0  0  0  0
  9 17  2  0  0  0  0
M  END
> <ID>
CHEBI:75417

> <NAME>
dibenzoylmethane

> <DEFINITION>
A β-diketone that is acetylacetone (acac) in which both methyl groups have been replaced by phenyl groups. It is a minor constituent of the root extract of licorice (Glycyrrhiza glabra) and exhibits antimutagenic and anticancer effects.

> <STAR>
3

> <SYNONYM>
Phenyl phenacyl ketone; omega-benzoylacetophenone; omega-Benzoylacetophenone; DBM; 2-Benzoylacetophenone; 1,3-Diphenyl-1,3-propanedione

> <IUPAC_NAME>
1,3-diphenylpropane-1,3-dione

> <FORMULA>
C15H12O2

> <MASS>
224.25460

> <MONOISOTOPIC_MASS>
224.08373

> <CHARGE>
0

> <SMILES>
O=C(CC(=O)c1ccccc1)c1ccccc1

> <INCHI>
InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2

> <INCHIKEY>
NZZIMKJIVMHWJC-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
120-46-7

> <REAXYS_REGISTRY_NUMBER>
514910

> <CHEMIDPLUS>
120-46-7

> <LINCS_ACCESSION>
LSM-2003

> <WIKIPEDIA_ACCESSION>
Dibenzoylmethane

> <PUBMED_CITATION>
12122651; 19706764; 21162108; 21341276; 21523861; 23586238

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