697594
  CDK     1106202311

 15 15  0  0  0  0  0  0  0  0999 V2000
    2.3644   -0.2558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -1.9058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    2.2192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    2.2192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -1.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -2.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    1.8067    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  8  1  0  0  0  0 
  2 14  1  0  0  0  0 
  3 15  1  0  0  0  0 
  4 15  2  0  0  0  0 
  5  6  2  0  0  0  0 
  5  7  1  0  0  0  0 
  5 11  1  0  0  0  0 
  6  9  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8 10  1  0  0  0  0 
  9 10  2  0  0  0  0 
 11 12  2  0  0  0  0 
 12 15  1  0  0  0  0 
M  END
> <ID>
CHEBI:166652

> <NAME>
2,5-Dimethoxycinnamic acid

> <STAR>
2

> <IUPAC_NAME>
(E)-3-(2,5-dimethoxyphenyl)prop-2-enoic acid

> <FORMULA>
C11H12O4

> <MASS>
208.213

> <MONOISOTOPIC_MASS>
208.07356

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C11H12O4/c1-14-9-4-5-10(15-2)8(7-9)3-6-11(12)13/h3-7H,1-2H3,(H,12,13)/b6-3+

> <INCHIKEY>
JPQWWJZORKTMIZ-ZZXKWVIFSA-N

> <CAS_REGISTRY_NUMBER>
10538-51-9

> <CHEMIDPLUS>
10538-51-9

$$$$