326186
  CDK     0409211652

 15 15  0  0  0  0  0  0  0  0999 V2000
    3.5220   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0 
  1 14  1  0  0  0  0 
  2  9  1  0  0  0  0 
  2 15  1  0  0  0  0 
  3  7  1  0  0  0  0 
  4 12  2  0  0  0  0 
  5  7  2  0  0  0  0 
  5  8  1  0  0  0  0 
  5 11  1  0  0  0  0 
  6  7  1  0  0  0  0 
  6  9  2  0  0  0  0 
  6 12  1  0  0  0  0 
  8 10  2  0  0  0  0 
  9 10  1  0  0  0  0 
 12 13  1  0  0  0  0 
M  END
> <ID>
CHEBI:169463

> <NAME>
2'-Hydroxy-4',6'-dimethoxy-3'-methylacetophenone

> <STAR>
2

> <IUPAC_NAME>
1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)ethanone

> <FORMULA>
C11H14O4

> <MASS>
210.229

> <MONOISOTOPIC_MASS>
210.08921

> <CHARGE>
0

> <SMILES>
O(C=1C(=C(O)C(=C(OC)C1)C(=O)C)C)C

> <INCHI>
InChI=1S/C11H14O4/c1-6-8(14-3)5-9(15-4)10(7(2)12)11(6)13/h5,13H,1-4H3

> <INCHIKEY>
AAOFJKLTRKOQTQ-UHFFFAOYSA-N

$$$$