
 OpenBabel04291915463D

 78 82  0  0  1  0  0  0  0  0999 V2000
    1.0278    0.0997    0.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2678   -0.2157   -1.2194 C   0  0  3  0  0  0  0  0  0  0  0  0
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   -1.3650   -1.7562   -2.2786 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3773   -2.0317   -3.4006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4955   -0.8067   -3.6194 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8580    0.7002   -2.7060 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3514    1.0426   -1.3144 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8694    1.0414   -1.3141 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2556    1.2951   -0.2817 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1284    0.7338   -2.5602 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2555   -0.4912   -2.3414 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2678   -0.2157   -1.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0088    0.0918    0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3518    0.3635    1.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0928    0.6710    2.3778 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1297    0.9396    3.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5677    1.2363    4.6746 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9874    1.3006    4.9305 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7851    1.0781    4.0244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1302    0.3623    1.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6379    1.7383    1.5311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6369    0.0191   -0.2593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3089    1.4808    5.6704 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1161    0.4583   -3.6822 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3780    0.7015   -2.7063 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4833   -1.0822   -4.7414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1804   -2.9006   -2.0742 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8904   -3.1953   -3.2681 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.9027   -3.4708   -4.3901 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2308   -0.4843   -2.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0330    0.3813   -2.6513 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7633   -4.4203   -3.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8884   -5.6054   -2.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7510   -4.1448   -1.9273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4733   -4.7150   -4.2432 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3325    0.2937    0.8484 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6422    0.9621   -0.0954 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6437   -0.7345    0.3225 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7088    0.3152   -0.6158 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8714   -1.3255   -2.0775 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0408    0.0927    0.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7967    0.6813    3.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8849    0.8937    3.2889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4490    2.0184    0.8918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8463    2.4518    1.4363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9760    1.7132    2.5460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7069    0.0182   -0.2591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2795   -0.9495   -0.5402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2810    0.7471   -0.9581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2301    1.4391    5.5043 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6715    0.7172   -4.6203 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3733   -0.5803   -3.6839 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9989    1.0441   -3.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7339    1.4904   -3.3355 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7354   -0.2374   -3.0748 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7348    0.8523   -1.7088 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9810   -1.5796   -5.5446 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2740   -1.7035   -4.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8901   -0.1573   -5.0935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5063   -2.3611   -3.5319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2366   -3.1538   -5.3560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6207   -4.4736   -4.6345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1930   -5.7994   -3.4643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5028   -6.4678   -2.5204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3534   -5.3834   -1.7748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3669   -3.3106   -2.1911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2160   -3.9228   -1.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.0316   -3.9588   -4.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 39  1  0  0  0  0
  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
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  5 43  1  0  0  0  0
  5 44  1  0  0  0  0
  6 27  1  0  0  0  0
  6 12  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 45  1  0  0  0  0
  8 46  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  2  0  0  0  0
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 11 25  1  0  0  0  0
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 36 78  1  0  0  0  0
M  END
>  <SKU>
A15406

>  <Product Name>
Cucurbitacin S

>  <CAS>
60137-06-6

>  <M.Wt>
498.65088

>  <Formula>
C30H42O6

>  <Synonyms>
N/A

>  <URL>
https://www.adooq.com/cucurbitacin-s.html

$$$$
