
 OpenBabel04291915373D

 77 81  0  0  1  0  0  0  0  0999 V2000
    1.8202    2.0695    4.8394 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2387    2.1078    4.2946 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4541    3.4054    3.5329 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8726    3.4437    2.9881 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0879    4.7413    2.2264 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8726    5.9197    3.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4541    5.8815    3.7067 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2387    7.0599    4.6423 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2265    6.9790    5.7948 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1002    4.8222    1.0739 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2518    3.9926    0.4153 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7548    1.1662   -0.0138 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8248    1.1662   -0.0138 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2608    1.0683    1.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9462    1.0526    1.6038 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1991    0.9914    2.4749 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4910    1.0082    2.2353 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4541    0.9293    3.3590 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8726    0.9676    2.8142 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0879    2.2652    2.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5064    2.3035    1.5077 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2018    2.2465    2.3190 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7218    3.6011    0.7460 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5118    4.7501    1.6581 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3493    4.9171    2.2475 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2764    3.9812    2.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4504    3.0295    1.2508 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7218    1.1250    0.5721 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1403    1.1633    0.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5064   -0.1726    1.3338 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1501    6.0072    3.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9870    6.8996    3.8214 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1403    3.6393    0.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2387   -0.3683    4.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4541    8.3575    3.8806 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8202    7.0216    5.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4710    4.7786    1.6952 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2348    3.8408    1.9055 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8906    5.8430    0.9805 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8385    2.2466    5.8945 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3897    1.1092    4.6463 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2339    2.8260    4.3609 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3025    4.2350    4.1915 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7588    3.4624    2.7216 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0242    2.6141    2.3295 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5679    3.3867    3.7994 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0242    6.8332    2.6257 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5679    5.8627    3.9732 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3025    4.9680    4.2429 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7588    5.9384    2.8954 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0187    6.4161    6.6807 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8461    7.6129    6.3940 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8551    0.9233    3.4455 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0242    0.1380    2.1556 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5679    0.9106    3.6255 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9363    3.0948    2.7111 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3926    2.3222    1.2412 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2786    5.4189    1.8305 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4401    0.1761   -0.2565 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8023    1.5340    0.7818 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1771    1.8066   -0.8269 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1599   -0.9262    0.9466 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4905   -0.4886    1.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7173   -0.0164    2.3712 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4679    4.6555    0.1304 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1619    3.1892   -0.7693 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7896    3.1002    0.8589 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9340   -0.4252    4.9320 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3903   -1.1978    3.4622 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2402   -0.3952    4.5043 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7588    8.4145    3.0693 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4526    8.3844    3.4971 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3025    9.1871    4.5392 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1249    7.0786    4.3758 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6686    7.8512    5.8457 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6686    6.1082    5.7233 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7650    5.8666    0.6447 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 40  1  0  0  0  0
  1 41  1  0  0  0  0
  1 42  1  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 43  1  0  0  0  0
  3 44  1  0  0  0  0
  4  5  1  0  0  0  0
  4 45  1  0  0  0  0
  4 46  1  0  0  0  0
  5 37  1  1  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 47  1  0  0  0  0
  6 48  1  0  0  0  0
  7  8  1  0  0  0  0
  7 49  1  0  0  0  0
  7 50  1  0  0  0  0
  8 36  1  0  0  0  0
  8 35  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 51  1  0  0  0  0
  9 52  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 12 14  1  0  0  0  0
 12 13  1  1  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 53  1  0  0  0  0
 17 18  1  0  0  0  0
 17 23  1  0  0  0  0
 18 34  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 54  1  0  0  0  0
 19 55  1  0  0  0  0
 20 21  1  0  0  0  0
 20 56  1  0  0  0  0
 20 57  1  0  0  0  0
 21 23  1  0  0  0  0
 21 28  1  0  0  0  0
 21 22  1  1  0  0  0
 23 33  1  6  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 58  1  0  0  0  0
 25 31  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 30  1  0  0  0  0
 28 29  1  0  0  0  0
 29 59  1  0  0  0  0
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 30 64  1  0  0  0  0
 31 32  3  0  0  0  0
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 33 67  1  0  0  0  0
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 34 70  1  0  0  0  0
 35 71  1  0  0  0  0
 35 72  1  0  0  0  0
 35 73  1  0  0  0  0
 36 74  1  0  0  0  0
 36 75  1  0  0  0  0
 36 76  1  0  0  0  0
 37 39  1  0  0  0  0
 37 38  2  0  0  0  0
 39 77  1  0  0  0  0
M  END
>  <SKU>
A11324

>  <Product Name>
Bardoxolone (CDDO)

>  <CAS>
218600-44-3

>  <M.Wt>
491.66154

>  <Formula>
C31H41NO4

>  <Synonyms>
RTA 401, Bardoxolone

>  <URL>
https://www.adooq.com/bardoxolone-cddo.html

$$$$
