
 OpenBabel04291915443D

 88 94  0  0  1  0  0  0  0  0999 V2000
   16.2303    8.1449   -3.4829 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4703    6.9346   -2.9652 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6262    6.3902   -4.0385 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0184    4.6568   -4.6476 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.8933    4.2424   -5.8195 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.0205    3.6795   -6.9293 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2605    2.4692   -6.4116 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.3855    2.8835   -5.2398 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.8870    7.1742    1.0255 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.6470    8.3845    0.5078 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.5220    7.9702   -0.6641 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.4723    5.9895   -5.1718 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.6491    7.4072   -1.7739 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.0184    4.6568   -4.6476 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.2584    3.4465   -4.1300 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.3835    3.8608   -2.9581 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2563    4.4237   -1.8483 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.2440    3.3620   -1.3927 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.5505    2.2577   -0.9203 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2250    1.1840   -0.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4526    1.1844   -0.4588 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5030    0.0342    0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1745   -1.0347    0.4904 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5030   -2.1039    0.9478 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1745   -3.1728    1.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5030   -4.2421    1.8636 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1601    0.0338    0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0163    5.6340   -2.3660 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.8891    6.1970   -1.2562 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.0718    6.5840   -0.1614 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8336    5.2469   -3.4607 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5436    6.3776   -3.9444 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4389    4.8108   -0.7535 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4665    7.0202   -2.8686 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4624    8.9104    1.5446 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6451    9.2975    2.6394 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4451    1.9433   -7.4484 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7351    0.8126   -6.9648 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6033    5.3731   -6.3031 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2584    3.4465   -4.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4430    2.9206   -5.1668 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7330    1.7899   -4.6831 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8447    8.5411   -2.7016 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5350    8.8922   -3.8036 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8462    7.8532   -4.3078 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8544    7.2262   -2.1403 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1656    6.1872   -2.6444 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2753    5.5114   -2.7129 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5865    4.4723   -3.2171 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5886    3.4951   -5.4988 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6364    3.3878   -7.7542 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3251    4.4269   -7.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9558    1.7218   -6.0909 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8615    7.2490    2.0926 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9517    9.1319    0.1871 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3298    8.3184   -0.0549 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1474    5.9549   -6.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0484    4.9368   -5.6799 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9537    2.6991   -3.8092 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8485    3.0088   -2.5937 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6881    4.6082   -3.2788 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0945    3.1722   -0.7717 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2065   -1.0343    0.4912 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4710   -2.1043    0.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2065   -3.1725    1.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3782   -5.1838    2.2668 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3354    0.6037   -0.2139 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3210    6.3814   -2.6867 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5844    5.4496   -0.9354 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4414    7.2615   -0.4522 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1595    6.0859   -4.7693 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1581    6.7739   -3.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8483    7.1250   -4.2651 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8086    5.4883   -1.0443 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3273    7.4622   -2.8016 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2595    9.6938    3.4206 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1101    8.4455    3.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9498   10.0449    2.3186 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1206    0.4164   -7.7460 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1192    1.1043   -6.1399 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4304    0.0653   -6.6441 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9729    6.0506   -6.5939 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6425    3.7381   -3.3050 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9537    2.6991   -3.8092 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1185    1.3936   -5.4644 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1171    2.0816   -3.8582 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4283    1.0425   -4.3624 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 44  1  0  0  0  0
  1 45  1  0  0  0  0
  1 46  1  0  0  0  0
  2  3  1  0  0  0  0
  2 47  1  0  0  0  0
  2 48  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
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 43 88  1  0  0  0  0
M  END
>  <SKU>
A14593

>  <Product Name>
Benzoylaconitine

>  <CAS>
466-24-0

>  <M.Wt>
603.7004

>  <Formula>
C32H45NO10

>  <Synonyms>
Isaconitine, Pikraconitin

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

$$$$
