10987054
  CDK     1019221600

 14 15  0  0  0  0  0  0  0  0999 V2000
    5.2886   -1.2827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2886    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7701   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0 
  1 12  1  0  0  0  0 
  2  5  1  0  0  0  0 
  2 14  1  0  0  0  0 
  3 11  2  0  0  0  0 
  4  5  1  0  0  0  0 
  4  6  2  0  0  0  0 
  4 10  1  0  0  0  0 
  5  7  2  0  0  0  0 
  6  8  1  0  0  0  0 
  7  9  1  0  0  0  0 
  7 11  1  0  0  0  0 
  8  9  2  0  0  0  0 
 10 12  2  0  0  0  0 
 11 13  1  0  0  0  0 
M  END
> <ID>
CHEBI:193816

> <NAME>
1-(4-methoxy-1-benzofuran-5-yl)ethan-1-one

> <STAR>
2

> <IUPAC_NAME>
1-(4-methoxy-1-benzouran-5-yl)ethanone

> <FORMULA>
C11H10O3

> <MASS>
190.198

> <MONOISOTOPIC_MASS>
190.06299

> <CHARGE>
0

> <SMILES>
O1C2=C(C(OC)=C(C=C2)C(=O)C)C=C1

> <INCHI>
InChI=1S/C11H10O3/c1-7(12)8-3-4-10-9(5-6-14-10)11(8)13-2/h3-6H,1-2H3

> <INCHIKEY>
HHGHKYQLMIAKNK-UHFFFAOYSA-N

$$$$