902138
  CDK     0110240941

 14 14  0  0  0  0  0  0  0  0999 V2000
    4.9509    0.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930    0.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -1.7284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    1.9842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    1.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    1.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    0.3341    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  7  1  0  0  0  0 
  3  9  1  0  0  0  0 
  4 12  2  0  0  0  0 
  5  7  1  0  0  0  0 
  5  8  2  0  0  0  0 
  5 12  1  0  0  0  0 
  6  7  2  0  0  0  0 
  6  9  1  0  0  0  0 
  6 11  1  0  0  0  0 
  8 10  1  0  0  0  0 
  9 10  2  0  0  0  0 
 12 13  1  0  0  0  0 
M  END
> <ID>
CHEBI:228971

> <NAME>
2,4-Dihydroxy-6-methoxy-3-methylacetophenone

> <STAR>
2

> <IUPAC_NAME>
1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)ethanone

> <FORMULA>
C10H12O4

> <MASS>
196.202

> <MONOISOTOPIC_MASS>
196.07356

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C10H12O4/c1-5-7(12)4-8(14-3)9(6(2)11)10(5)13/h4,12-13H,1-3H3

> <INCHIKEY>
RFKMWWMZUHXFBA-UHFFFAOYSA-N

$$$$