
 OpenBabel04291915343D

 68 71  0  0  1  0  0  0  0  0999 V2000
    2.9938   -1.4555   -0.4636 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4871   -0.0900   -0.0287 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8438    0.6558   -0.7080 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9938    0.2160    1.3713 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4871    1.5815    1.8063 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9811    1.8799    3.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6869    1.0662    3.7602 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6553    3.0457    3.7668 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9671   -0.0900   -0.0287 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4668    0.3080   -0.8866 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0646   -1.1000    0.6610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2213   -0.4164    1.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1238   -1.4264    1.7859 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6234   -1.8244    2.6439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3649    2.3184    2.8371 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.0790    1.6347    2.4019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3682    1.0694    3.6207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0823    0.3857    3.1855 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5819   -0.0123    4.0434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4097   -0.7427    2.2211 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9101   -0.3447    1.3632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3122   -1.7528    2.9108 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5427   -2.5471    2.2320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6014   -2.3181    4.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3155   -3.0018    3.6944 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5460   -3.7962    3.0156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6047   -3.5672    4.9132 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5072   -4.5773    5.6029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7931   -3.8936    6.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6956   -4.9036    6.7278 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1952   -5.3016    7.5858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4130   -1.9918    3.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8969   -4.2649    7.1344 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3188   -4.2509    4.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5135   -1.1141    3.3174 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0757    2.8838    1.6183 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0638   -1.4555   -0.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6371   -1.6709   -1.4492 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6371   -2.2012    0.2157 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0638    0.2160    1.3713 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6371   -0.5297    2.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4171    1.5815    1.8063 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8438    2.3273    1.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9676    3.2343    4.6298 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5650   -1.4980    1.5190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1659   -1.8944   -0.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7216   -0.0184    0.2383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9908    0.3780    1.7751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3095    0.8404    1.7230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4437    2.3458    1.9164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1377    1.8637    4.2995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0035    0.3583    4.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2367   -3.0292    4.6151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3709   -1.5238    4.8085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0068   -4.9753    6.4609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7377   -5.3716    4.9240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2934   -3.4956    5.1801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5626   -3.0992    6.7170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7533   -1.1877    2.3862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4379   -1.7161    2.6609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3721   -4.8365    7.7575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1941   -5.1599    5.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5114   -3.6028    4.6669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3683   -4.4713    3.4321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3045   -0.3940    3.9328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0497    3.2257    1.9001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1671    2.1214    0.8731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5107    3.7023    1.2237 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  1  6  0  0  0
  2  9  1  0  0  0  0
  2  1  1  0  0  0  0
  4  5  1  0  0  0  0
  4 40  1  0  0  0  0
  4 41  1  0  0  0  0
  5  6  1  0  0  0  0
  5 42  1  0  0  0  0
  5 43  1  0  0  0  0
  6  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 44  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  1  6  0  0  0
  9 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 45  1  0  0  0  0
 11 46  1  0  0  0  0
 12 13  1  0  0  0  0
 12 47  1  0  0  0  0
 12 48  1  0  0  0  0
 13 20  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  6  0  0  0
 16 17  1  0  0  0  0
 16 49  1  0  0  0  0
 16 50  1  0  0  0  0
 17 18  1  0  0  0  0
 17 51  1  0  0  0  0
 17 52  1  0  0  0  0
 18 20  1  0  0  0  0
 18 19  1  1  0  0  0
 18 27  1  0  0  0  0
 20 22  1  0  0  0  0
 20 21  1  1  0  0  0
 22 35  1  0  0  0  0
 22 24  1  0  0  0  0
 22 23  1  6  0  0  0
 24 25  1  0  0  0  0
 24 53  1  0  0  0  0
 24 54  1  0  0  0  0
 25 27  1  0  0  0  0
 25 32  1  0  0  0  0
 25 26  1  1  0  0  0
 27 34  1  6  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 55  1  0  0  0  0
 28 56  1  0  0  0  0
 29 30  1  0  0  0  0
 29 57  1  0  0  0  0
 29 58  1  0  0  0  0
 30 33  1  0  0  0  0
 30 31  1  1  0  0  0
 30 32  1  0  0  0  0
 32 59  1  0  0  0  0
 32 60  1  0  0  0  0
 33 61  1  0  0  0  0
 34 62  1  0  0  0  0
 34 63  1  0  0  0  0
 34 64  1  0  0  0  0
 35 65  1  0  0  0  0
 36 66  1  0  0  0  0
 36 67  1  0  0  0  0
 36 68  1  0  0  0  0
M  END
>  <SKU>
A10197

>  <Product Name>
Chenodeoxycholic acid

>  <CAS>
474-25-9

>  <M.Wt>
392.572

>  <Formula>
C24H40O4

>  <Synonyms>
Chenodiol, Chenodesoxycholic acid, Chenocholic acid

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

$$$$
