57382302
  CDK     1019221600

 16 16  0  0  0  0  0  0  0  0999 V2000
    2.3644    1.5221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    1.5221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    2.3471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -2.6029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    1.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -2.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    1.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0 
  1 15  1  0  0  0  0 
  2 11  1  0  0  0  0 
  2 16  1  0  0  0  0 
  3 12  1  0  0  0  0 
  4 13  2  0  0  0  0 
  5  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  8  2  0  0  0  0 
  6  9  1  0  0  0  0 
  7 13  1  0  0  0  0 
  8 11  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 12  1  0  0  0  0 
 11 12  2  0  0  0  0 
 13 14  1  0  0  0  0 
M  END
> <ID>
CHEBI:194011

> <NAME>
4-(4-hydroxy-3,5-dimethoxyphenyl)butan-2-one

> <STAR>
2

> <IUPAC_NAME>
4-(4-hydroxy-3,5-dimethoxyphenyl)butan-2-one

> <FORMULA>
C12H16O4

> <MASS>
224.256

> <MONOISOTOPIC_MASS>
224.10486

> <CHARGE>
0

> <SMILES>
O(C1=CC(CCC(=O)C)=CC(OC)=C1O)C

> <INCHI>
InChI=1S/C12H16O4/c1-8(13)4-5-9-6-10(15-2)12(14)11(7-9)16-3/h6-7,14H,4-5H2,1-3H3

> <INCHIKEY>
NULBEPOZYDYWOV-UHFFFAOYSA-N

$$$$