
 OpenBabel04291915393D

 84 88  0  0  1  0  0  0  0  0999 V2000
    2.9898    1.1457  -13.2125 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3150    0.8209  -12.8191 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5304    1.2362  -11.3729 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5426    0.5006  -10.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9489    0.8885  -10.9518 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1005   -0.1665  -11.0462 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8716    1.5757  -11.7841 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1643    1.3038   -9.5056 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4689    0.7860   -8.8784 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9630    2.7039   -9.3802 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5828    0.9561   -9.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7981    1.3715   -7.6382 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2166    1.0237   -7.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6719   -1.5308   -4.1233 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8235   -2.5858   -4.2178 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2534   -1.1830   -4.5445 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1018   -0.1281   -4.4500 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3306   -1.8702   -3.7122 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0380   -1.5984   -5.9907 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0258   -0.8628   -6.8815 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8104   -1.2781   -8.3277 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8104    0.6359   -6.7474 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9620    0.9282   -5.7293 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3919    0.9836   -7.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4288    0.2664   -6.2999 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1369    0.4193   -6.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1739   -0.2979   -5.6164 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3893    0.1174   -4.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7554    0.0498   -6.0376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2324   -0.6858   -5.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6508   -0.3381   -5.5678 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6139   -1.0553   -4.6992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1642   -1.8650   -3.7185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208   -0.9124   -4.8722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8662   -2.6674   -8.5944 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7146   -2.3750   -7.5764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8785   -1.9318   -9.4853 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1201   -2.1766   -9.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0939   -2.3472  -10.9315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0939   -0.4331   -9.3511 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0924   -0.1884   -9.6476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1061    0.3024  -10.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8785   -0.0178   -7.9049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8662   -0.7534   -7.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8524    0.8807  -14.1355 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0103    1.3387  -13.4463 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4666   -0.2341  -12.9136 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5863    0.4678  -10.9609 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4558    1.0130   -9.5467 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8905   -0.4968  -10.3113 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7342    2.5321  -11.6984 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5934    3.1733   -9.9487 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2781    1.4739   -9.7116 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7344   -0.0989   -9.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9119    1.5416   -7.8442 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3682   -0.0313   -7.3116 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3682    1.3161   -6.1991 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4254   -1.6483   -3.9809 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1896   -2.6534   -6.0851 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0395   -1.3536   -6.2871 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7577   -1.4526   -8.7936 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2944   -0.4994   -8.8494 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2274   -2.1749   -8.3583 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2403    0.6912   -8.1865 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2403    2.0386   -7.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7728   -0.3531   -5.5496 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4419    0.2919   -3.7044 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9722    1.0141   -4.1397 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9052   -0.6614   -3.6485 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6038   -0.2426   -7.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6038    1.1048   -5.9431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0807   -0.3934   -4.1286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0807   -1.7408   -5.2411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2430   -1.9741   -3.5865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0924   -2.1024  -11.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9422   -3.4021  -11.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3985   -1.8293  -11.5586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2577    1.3574  -10.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2577    0.0101  -11.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8924    0.0577   -9.9455 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1201   -0.2626   -7.6084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0301    1.0372   -7.8105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8648   -0.5086   -7.3105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7146   -1.8084   -7.1085 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 45  1  0  0  0  0
  2 46  1  0  0  0  0
  2 47  1  0  0  0  0
  3  2  1  6  0  0  0
  3  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4 48  1  0  0  0  0
  4 49  1  0  0  0  0
  4 50  1  0  0  0  0
  5  8  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  1  6  0  0  0
  7 51  1  0  0  0  0
  8 11  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 52  1  0  0  0  0
 11 12  1  0  0  0  0
 11 53  1  0  0  0  0
 11 54  1  0  0  0  0
 12 13  1  6  0  0  0
 12 22  1  0  0  0  0
 12 14  1  0  0  0  0
 13 55  1  0  0  0  0
 13 56  1  0  0  0  0
 13 57  1  0  0  0  0
 14 16  1  0  0  0  0
 14 15  1  1  0  0  0
 16 19  1  0  0  0  0
 16 18  1  0  0  0  0
 16 17  1  1  0  0  0
 18 58  1  0  0  0  0
 19 20  1  0  0  0  0
 19 59  1  0  0  0  0
 19 60  1  0  0  0  0
 20 22  1  0  0  0  0
 20 21  1  6  0  0  0
 20 27  1  0  0  0  0
 21 61  1  0  0  0  0
 21 62  1  0  0  0  0
 21 63  1  0  0  0  0
 22 24  1  0  0  0  0
 22 23  1  1  0  0  0
 24 25  1  0  0  0  0
 24 64  1  0  0  0  0
 24 65  1  0  0  0  0
 25 26  2  0  0  0  0
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 26 27  1  0  0  0  0
 26 35  1  0  0  0  0
 27 29  1  0  0  0  0
 27 28  1  1  0  0  0
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 28 68  1  0  0  0  0
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 31 32  1  1  0  0  0
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 31 35  1  0  0  0  0
 32 34  2  0  0  0  0
 32 33  1  0  0  0  0
 33 74  1  0  0  0  0
 35 37  1  0  0  0  0
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 37 40  1  0  0  0  0
 37 38  1  1  0  0  0
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 43 44  1  0  0  0  0
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 43 82  1  0  0  0  0
 44 83  1  0  0  0  0
 44 84  1  0  0  0  0
M  END
>  <SKU>
A12086

>  <Product Name>
Madecassic acid

>  <CAS>
18449-41-7

>  <M.Wt>
504.69852

>  <Formula>
C30H48O6

>  <Synonyms>
N/A

>  <URL>
https://www.adooq.com/madecassic-acid.html

$$$$
