11280714502D 1   1.00000     0.00000     0

 19 21  0     0  0            999 V2000
    1.8417   -0.0792    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8625   -1.4167    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3417   -0.7417    0.0000 C   0  0  3  0  0  0           0  0  0
    1.0792   -1.1667    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0667   -0.3500    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1625   -0.7292    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1250   -2.2000    0.0000 O   0  0  0  0  0  0           0  0  0
    2.0917    0.7083    0.0000 O   0  0  0  0  0  0           0  0  0
    3.5792   -1.4417    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5625   -0.0167    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8125   -0.7125    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3792    0.0000    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4042   -1.4292    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3417    0.0500    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3792   -1.5917    0.0000 C   0  0  0  0  0  0           0  0  0
    5.6292   -0.7000    0.0000 O   0  0  0  0  0  0           0  0  0
    6.0375    0.0208    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3458   -1.2042    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3625   -0.3750    0.0000 C   0  0  0  0  0  0           0  0  0
  2  3  1  0     0  0
  3  1  1  0     0  0
  4  5  2  0     0  0
  5  1  1  0     0  0
  6  3  1  0     0  0
  7  2  2  0     0  0
  8  1  2  0     0  0
  9  6  2  0     0  0
 10  6  1  0     0  0
 11 12  1  0     0  0
 12 10  2  0     0  0
 13  9  1  0     0  0
 14  5  1  0     0  0
 15  4  1  0     0  0
 16 11  1  0     0  0
 17 16  1  0     0  0
 18 19  1  0     0  0
 19 14  2  0     0  0
  4  2  1  0     0  0
 15 18  2  0     0  0
 11 13  2  0     0  0
M  END
> <ID>
CHEBI:133809

> <NAME>
anisindione

> <DEFINITION>
A cyclic β-diketone consisting of indane-1,3-dione having a 4-methoxyphenyl substituent at the 4-position.

> <STAR>
3

> <SYNONYM>
Anisin indandione; 2-para-Anisyl-1,3-indandione; 2-p-Anisyl-1,3-indandione; 2-(p-Methoxyphenyl)indane-1,3-dione; 2-(p-Methoxyphenyl)-1,3-indandione; 2-(4-Methoxyphenyl)indan-1,3-dione; 2-(4-Methoxyphenyl)-1H-indene-1,3(2H)-dione

> <IUPAC_NAME>
2-(4-methoxyphenyl)-1H-indene-1,3(2H)-dione

> <INN>
anisindionum; anisindione; anisindiona

> <FORMULA>
C16H12O3

> <MASS>
252.26470

> <MONOISOTOPIC_MASS>
252.07864

> <CHARGE>
0

> <SMILES>
COc1ccc(cc1)C1C(=O)c2ccccc2C1=O

> <INCHI>
InChI=1S/C16H12O3/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9,14H,1H3

> <INCHIKEY>
XRCFXMGQEVUZFC-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1880681

> <CAS_REGISTRY_NUMBER>
117-37-3

> <CHEMIDPLUS>
117-37-3

> <DRUGBANK_ACCESSION>
DB01125

> <KEGG_DRUG_ACCESSION>
D07457

> <NIST_CHEMISTRY_WEBBOOK>
117-37-3

> <WIKIPEDIA_ACCESSION>
Anisindione

$$$$