C24H42O9
APtclcactv09241716212D 0   0.00000     0.00000
 
 75 75  0  0  1  0  0  0  0  0999 V2000
    2.5369   -4.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.5950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030   -4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.5950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030   -1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.5950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350   -1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.0950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5380   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.9050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2700    1.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    5.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.5950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350   -4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.0950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8059   -4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8469   -1.5581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2269   -2.6319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0791   -1.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4776   -0.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2565    2.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6550    1.8224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4776    3.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0791    3.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3905    4.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890    3.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116    4.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131    5.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4450    5.9419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250    4.8681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8112    1.8224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2097    2.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    4.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244   -0.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230   -1.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456    0.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471    0.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924    2.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909    1.8224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0135    3.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6150    3.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8469    4.4419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2269    3.3681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -3.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -5.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  6  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  1  0  0  0
 11 10  1  6  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 15  1  6  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 14 27  2  0  0  0  0
 11 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
  8 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  6  0  0  0
 35 38  1  0  0  0  0
 38 39  1  0  0  0  0
  2 38  1  0  0  0  0
 38 40  1  6  0  0  0
  1 41  1  0  0  0  0
  6 42  1  0  0  0  0
  6 43  1  0  0  0  0
  6 44  1  0  0  0  0
 13 45  1  0  0  0  0
 13 46  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 20 51  1  0  0  0  0
 20 52  1  0  0  0  0
 21 53  1  0  0  0  0
 21 54  1  0  0  0  0
 22 55  1  0  0  0  0
 22 56  1  0  0  0  0
 22 57  1  0  0  0  0
 23 58  1  0  0  0  0
 23 59  1  0  0  0  0
 25 60  1  0  0  0  0
 28 61  1  0  0  0  0
 28 62  1  0  0  0  0
 29 63  1  0  0  0  0
 29 64  1  0  0  0  0
 30 65  1  0  0  0  0
 31 66  1  0  0  0  0
 32 67  1  0  0  0  0
 32 68  1  0  0  0  0
 33 69  1  0  0  0  0
 33 70  1  0  0  0  0
 34 71  1  0  0  0  0
 34 72  1  0  0  0  0
 34 73  1  0  0  0  0
 37 74  1  0  0  0  0
 40 75  1  0  0  0  0
M  END
> <UNIQUE_SMILES>
CCCCC[C@H](CC(O)=O)OC(=O)C[C@@H](CC\C=C\CCC)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O

> <USER_SUPPLIED_SMILES>
O[C@H]1[C@H](C)O[C@@H](O[C@@H](CC(O[C@H](CCCCC)CC(O)=O)=O)CC/C=C/CCC)[C@H](O)[C@@H]1O

$$$$
