
 OpenBabel04291915473D

 79 81  0  0  1  0  0  0  0  0999 V2000
    0.9800   -0.0616   -0.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.0616   -0.0762 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0066   -0.5762    1.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.3248    2.3757 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9940   -0.1770    3.6797 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6997   -1.1805    3.7238 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6566    0.4917    4.8584 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1348    0.0060    6.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6281    0.9070    7.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2314    0.2942    8.8277 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7228   -1.1271    9.0517 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7575    0.2942    8.8277 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6614    1.3078   10.0814 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.0066   -0.9626   -1.1906 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5266   -0.9626   -1.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0333   -1.8635   -2.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5533   -1.8635   -2.3050 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0066   -1.7353   -6.0944 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5266   -1.7353   -6.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0333   -2.2499   -4.7569 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5533   -2.2499   -4.7569 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0599   -2.7645   -3.4195 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5799   -2.7645   -3.4195 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0866   -3.2791   -2.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5800   -2.3782   -0.9676 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0866   -2.8928    0.3699 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.6066   -2.8928    0.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1133   -3.7938   -0.7445 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6333   -3.7938   -0.7445 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0600   -2.3782   -0.9676 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1066   -4.6355   -1.7856 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5800   -1.9918    1.4843 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0533   -3.6062   -4.4606 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4999   -1.2206   -7.4319 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9800   -0.0616   -0.0762 Na  0  3  0  0  0 15  0  0  0  0  0  0
    0.6233    0.3007   -1.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6233    0.5726    0.7083 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6233   -1.0581    0.0808 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8566    0.9349   -0.2332 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0766   -0.5762    1.2613 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500   -1.5727    1.4183 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4300    0.3248    2.3757 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8566    1.3213    2.2187 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0906    1.2965    4.8230 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2048    0.0060    6.1206 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7781   -0.9905    6.2777 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5581    0.9070    7.2351 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9848    1.9035    7.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -1.5214   -0.8650 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8833   -1.3248   -0.2491 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8833    0.0339   -1.3476 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6766   -1.5013   -3.2465 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6766   -2.8601   -2.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2510   -1.5699   -1.5488 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8833   -2.3695   -6.8789 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8833   -0.7387   -6.2514 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6766   -1.6157   -3.9724 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6766   -3.2464   -4.5999 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6849   -1.9882   -5.7861 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7033   -3.7610   -3.2624 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9366   -1.7680   -3.5765 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1566   -3.2792   -2.0820 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7299   -4.2757   -1.9250 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9366   -1.3817   -1.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9633   -3.2551    1.3114 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9633   -1.8963    0.2129 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7566   -3.4315   -1.6860 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7566   -4.7903   -0.5875 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5836   -3.5923   -0.2959 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4471   -2.4376   -1.8426 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1418   -2.1798   -0.4551 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3582   -4.9335   -2.3259 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1205   -2.1991    2.3842 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5378   -2.1741    1.6443 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7249   -0.9681    1.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7299   -4.5096   -4.3182 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8566   -1.8549   -8.2164 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8566   -0.2241   -7.5889 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4299   -1.2206   -7.4319 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  2 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2 39  1  0  0  0  0
  3  4  1  0  0  0  0
  3 40  1  0  0  0  0
  3 41  1  0  0  0  0
  4  5  1  0  0  0  0
  4 42  1  0  0  0  0
  4 43  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 44  1  0  0  0  0
  8  9  1  0  0  0  0
  8 45  1  0  0  0  0
  8 46  1  0  0  0  0
  9 10  1  0  0  0  0
  9 47  1  0  0  0  0
  9 48  1  0  0  0  0
 10 13  1  0  0  0  0
 10 12  2  0  0  0  0
 10 11  2  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 14 49  1  0  0  0  0
 15 16  1  0  0  0  0
 15 50  1  0  0  0  0
 15 51  1  0  0  0  0
 16 17  1  0  0  0  0
 16 52  1  0  0  0  0
 16 53  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
 17 54  1  0  0  0  0
 18 19  1  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 19 55  1  0  0  0  0
 19 56  1  0  0  0  0
 20 21  1  0  0  0  0
 20 57  1  0  0  0  0
 20 58  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 21 59  1  0  0  0  0
 22 23  1  0  0  0  0
 22 60  1  0  0  0  0
 23 33  1  0  0  0  0
 23 24  1  0  0  0  0
 23 61  1  0  0  0  0
 24 25  1  0  0  0  0
 24 62  1  0  0  0  0
 24 63  1  0  0  0  0
 25 26  1  0  0  0  0
 25 30  1  0  0  0  0
 25 64  1  0  0  0  0
 26 32  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 65  1  0  0  0  0
 27 66  1  0  0  0  0
 28 29  1  0  0  0  0
 28 67  1  0  0  0  0
 28 68  1  0  0  0  0
 29 31  1  0  0  0  0
 29 30  1  0  0  0  0
 29 69  1  0  0  0  0
 30 70  1  0  0  0  0
 30 71  1  0  0  0  0
 31 72  1  0  0  0  0
 32 73  1  0  0  0  0
 32 74  1  0  0  0  0
 32 75  1  0  0  0  0
 33 76  1  0  0  0  0
 34 77  1  0  0  0  0
 34 78  1  0  0  0  0
 34 79  1  0  0  0  0
M  CHG  2  13  -1  35   1
M  END
>  <SKU>
A15909

>  <Product Name>
Sodium Tauroursodeoxycholate

>  <CAS>
35807-85-3

>  <M.Wt>
521.68543

>  <Formula>
C26H44NNaO6S

>  <Synonyms>
TUDC

>  <URL>
https://www.adooq.com/sodium-tauroursodeoxycholate.html

$$$$
