Ketcher 08031514032D 1   1.00000     0.00000     0

 15 15  0     0  0            999 V2000
   10.9945   -9.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8636   -9.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7326   -9.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9945   -8.3714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8636  -10.8775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6016   -9.8670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4706   -9.3617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7326   -8.3714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8636   -7.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4077   -9.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4077  -10.8775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2767  -11.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1255  -10.8775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1457   -9.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2767   -9.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  4  1  2  0     0  0
 14  1  1  0     0  0
  3  2  1  0     0  0
  5  2  2  0     0  0
  6  3  1  0     0  0
  8  3  1  0     0  0
  7  6  1  0     0  0
  9  8  1  0     0  0
 15 10  2  0     0  0
 11 10  1  0     0  0
 12 11  2  0     0  0
 13 12  1  0     0  0
 14 13  2  0     0  0
 15 14  1  0     0  0
M  END
> <ID>
CHEBI:87292

> <NAME>
3,3-dimethoxy-1-phenylpropane-1,2-dione

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

> <STAR>
3

> <IUPAC_NAME>
3,3-dimethoxy-1-phenylpropane-1,2-dione

> <FORMULA>
C11H12O4

> <MASS>
208.21060

> <MONOISOTOPIC_MASS>
208.07356

> <CHARGE>
0

> <SMILES>
COC(OC)C(=O)C(=O)c1ccccc1

> <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

> <REAXYS_REGISTRY_NUMBER>
4743805

$$$$