Marvin  04020814072D          

 18 19  0  0  0  0            999 V2000
    1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  0  0  0  0
  2  1  2  0  0  0  0
 12  2  1  0  0  0  0
  9  3  2  0  0  0  0
  1  4  1  0  0  0  0
 10  4  2  0  0  0  0
  3 17  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
 17 15  2  0  0  0  0
  4 15  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 13 11  2  0  0  0  0
 14 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 16  1  4  0  0  0
 17 18  1  4  0  0  0
M  END
> <ID>
CHEBI:27618

> <NAME>
chalcone

> <DEFINITION>
A member of the class of chalcones that is acetophenone in which one of the methyl hydrogens has been replaced by a benzylidene group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:3571; CHEBI:23085

> <SYNONYM>
styryl phenyl ketone; Chalkon; Chalcone; beta-phenylacrylophenone; beta-benzoylstyrene; Benzylideneacetophenone; alpha-benzylideneacetophenone; 1,3-Diphenyl-2-propen-1-one

> <IUPAC_NAME>
1,3-diphenylprop-2-en-1-one

> <FORMULA>
C15H12O

> <MASS>
208.25518

> <MONOISOTOPIC_MASS>
208.08882

> <CHARGE>
0

> <SMILES>
[H]C(=C([H])c1ccccc1)C(=O)c1ccccc1

> <INCHI>
InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H

> <INCHIKEY>
DQFBYFPFKXHELB-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
94-41-7

> <GMELIN_REGISTRY_NUMBER>
29124

> <REAXYS_REGISTRY_NUMBER>
509985

> <CHEMIDPLUS>
94-41-7

> <KEGG_COMPOUND_ACCESSION>
C01484

> <NIST_CHEMISTRY_WEBBOOK>
94-41-7

> <WIKIPEDIA_ACCESSION>
Chalcone

> <PUBMED_CITATION>
24510324

$$$$