Ketcher 07161512082D 1   1.00000     0.00000     0

 15 17  0     0  0            999 V2000
   12.7697   -6.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7697   -7.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9035   -5.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9035   -7.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0376   -6.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0376   -7.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1715   -5.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3055   -6.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1716   -7.7831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3056   -7.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4396   -7.7832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1715   -4.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3055   -4.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4394   -4.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4394   -5.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  3  1  2  0     0  0
  4  2  2  0     0  0
  5  3  1  0     0  0
  6  4  1  0     0  0
  6  5  2  0     0  0
  7  5  1  0     0  0
  9  6  1  0     0  0
 10  8  1  0     0  0
 10  9  1  0     0  0
 10 11  2  0     0  0
  7 12  1  0     0  0
 13 12  2  0     0  0
  8  7  2  0     0  0
 14 13  1  0     0  0
 15  8  1  0     0  0
 15 14  2  0     0  0
M  END
> <ID>
CHEBI:86511

> <NAME>
6H-dibenzo[b,d]pyran-6-one

> <DEFINITION>
A benzochromenone that is 6H-dibenzo[b,d]pyran substituted by an oxo group at position 6.

> <STAR>
3

> <SYNONYM>
benzo[c]chromen-6-one

> <IUPAC_NAME>
6H-dibenzo[b,d]pyran-6-one

> <FORMULA>
C13H8O2

> <MASS>
196.20140

> <MONOISOTOPIC_MASS>
196.05243

> <CHARGE>
0

> <SMILES>
O=c1oc2ccccc2c2ccccc12

> <INCHI>
InChI=1S/C13H8O2/c14-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-13/h1-8H

> <INCHIKEY>
TVKNXKLYVUVOCV-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
140721

$$$$