
 OpenBabel04291915413D

 47 47  0  0  0  0  0  0  0  0999 V2000
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    2.4922   -0.0160   -0.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9988   -0.2539   -1.5079 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5188   -0.2539   -1.5079 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0255   -0.4919   -2.9211 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5455   -0.4919   -2.9211 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0521   -0.7299   -4.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5721   -0.7299   -4.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0788   -0.9679   -5.7474 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5988   -0.9679   -5.7474 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1055   -1.2059   -7.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5875   -1.2059   -7.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2445   -1.3949   -8.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6885   -1.3961   -8.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3023   -1.5727   -9.3309 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4105   -1.1896   -7.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1435   -1.2047   -7.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5297   -1.0282   -6.1124 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3990   -0.9978   -5.8968 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5700   -1.5878   -9.4350 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6155    0.1516    0.9001 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6155   -0.9612   -0.4470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6155    0.7618   -0.7372 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8488   -0.7937    0.5478 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8488    0.9293    0.2576 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6421    0.5238   -2.1504 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6421   -1.1992   -1.8602 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8755   -1.0317   -0.8654 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8755    0.6913   -1.1556 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6688    0.2858   -3.5635 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6688   -1.4372   -3.2734 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9021   -1.2697   -2.2786 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9021    0.4533   -2.5687 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6955    0.0478   -4.9767 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6955   -1.6752   -4.6865 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9288   -1.5077   -3.6917 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9288    0.2154   -3.9819 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7221   -1.9132   -6.0997 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9555   -1.7457   -5.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9555   -0.0226   -5.3951 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7488   -0.4282   -7.8031 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7488   -2.1512   -7.5129 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8945   -1.0412   -6.1679 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3360   -0.9986   -5.8966 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6330   -1.5870   -9.4351 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
 10 11  1  0  0  0  0
 10 41  1  0  0  0  0
 10 42  1  0  0  0  0
 11 12  1  0  0  0  0
 11 43  1  0  0  0  0
 11 44  1  0  0  0  0
 12 13  2  0  0  0  0
 12 18  1  0  0  0  0
 13 21  1  0  0  0  0
 13 14  1  0  0  0  0
 14 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 45  1  0  0  0  0
 17 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 46  1  0  0  0  0
 21 47  1  0  0  0  0
M  END
>  <SKU>
A13055

>  <Product Name>
Embelin

>  <CAS>
550-24-3

>  <M.Wt>
294.38594

>  <Formula>
C17H26O4

>  <Synonyms>
Embelic acid, Emberine, NSC 91874

>  <URL>
https://www.adooq.com/embelin.html

$$$$
