C14H14O5
APtclcactv03241713492D 0   0.00000     0.00000
 
 33 34  0  0  0  0  0  0  0  0999 V2000
    4.2321    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2321    0.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2321    0.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7321    1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7321    1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2321    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7321   -0.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2321    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7321    1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2321    2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2321    2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6121    0.5670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -1.6914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -2.3816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -2.7740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -2.7740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.1090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.4890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8397    2.0436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1494    1.6451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0421   -0.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5421    0.0301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3521    1.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5421    2.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9221    2.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  2  9  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 12 18  2  0  0  0  0
  1 19  2  0  0  0  0
  3 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
M  END
> <UNIQUE_SMILES>
OC1=CC=CC=C1COC(=O)C2(O)C=CCCC2=O

> <USER_SUPPLIED_SMILES>
C(C1(O)(C(=O)CCC=C1))(OCC2(C(O)=CC=CC=2))=O

$$$$
