10965145
  CDK     0602212311

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.3644    0.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    0.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.7284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.9841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    1.9841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0 
  1 13  1  0  0  0  0 
  2  7  1  0  0  0  0 
  3 10  1  0  0  0  0 
  4 11  2  0  0  0  0 
  5  6  1  0  0  0  0 
  5  7  2  0  0  0  0 
  5 11  1  0  0  0  0 
  6  8  2  0  0  0  0 
  7  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
  9 10  2  0  0  0  0 
 11 12  1  0  0  0  0 
M  END
> <ID>
CHEBI:173872

> <NAME>
2',4'-Dihydroxy-6'-methoxyacetophenone

> <STAR>
2

> <IUPAC_NAME>
1-(2,4-dihydroxy-6-methoxyphenyl)ethanone

> <FORMULA>
C9H10O4

> <MASS>
182.175

> <MONOISOTOPIC_MASS>
182.05791

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C9H10O4/c1-5(10)9-7(12)3-6(11)4-8(9)13-2/h3-4,11-12H,1-2H3

> <INCHIKEY>
IETZAWFZIAOWQX-UHFFFAOYSA-N

$$$$