
 OpenBabel04291915443D

 58 60  0  0  1  0  0  0  0  0999 V2000
    0.9672    0.0656   -0.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    0.0656   -0.0679 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0287    0.8775   -0.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4149    1.6162   -1.6726 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4727    0.8775   -0.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1297    1.6682   -1.7264 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4787    1.6682   -1.7264 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1722    2.5029   -2.5902 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8050    3.9493   -2.3010 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8647    1.3149   -1.8000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2093    1.7916   -3.0859 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981    3.1234   -2.8646 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3480    4.1374   -2.4957 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7367    5.4692   -2.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3729    5.3980   -2.5166 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6047    6.4981   -2.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1127    7.5623   -2.0361 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8623    6.4070   -2.6865 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1157    8.0336   -2.4163 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2035    0.8679   -3.4751 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5683    2.3226   -2.4036 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2783    3.1771   -3.2880 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.7727    2.9841   -3.0882 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.1399    1.5378   -3.3774 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.6343    1.3448   -3.1777 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.0015   -0.1016   -3.4669 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9353    4.5283   -3.0178 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2415   -1.0163   -2.5203 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5846   -2.3675   -2.7905 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3443    2.1993   -4.0621 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4299    0.6833   -2.4931 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4827    3.8387   -3.9726 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106   -0.6354    0.6575 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6105   -0.2121   -1.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6105    1.0444    0.1764 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6137    2.2893   -2.3691 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9137    2.2645   -3.6008 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3624    4.8595   -2.2254 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5469    0.5801   -1.4263 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9472    1.8616   -3.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5834    3.2544   -3.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1804    6.1803   -2.9396 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9039    5.7747   -1.2627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9364    7.9786   -2.6031 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5594    8.7446   -3.0815 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2829    8.3391   -1.4045 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5346    0.8045   -2.7755 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0198    2.9388   -4.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0312    3.2225   -2.0776 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8814    1.2994   -4.3880 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8928    1.5832   -2.1671 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7549   -0.6932   -3.9437 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1896   -0.8804   -2.6609 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000   -0.7779   -1.5097 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3503   -2.5836   -3.7066 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1100    1.9832   -4.9782 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6643    0.8994   -1.5770 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2484    3.6226   -4.8887 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  3  4  2  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  8 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 38  1  0  0  0  0
 10 11  1  0  0  0  0
 10 39  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 11 40  1  0  0  0  0
 12 13  2  0  0  0  0
 12 41  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 16  1  0  0  0  0
 16 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 22 48  1  0  0  0  0
 23 32  1  0  0  0  0
 23 24  1  0  0  0  0
 23 49  1  0  0  0  0
 24 31  1  0  0  0  0
 24 25  1  0  0  0  0
 24 50  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  1  0  0  0  0
 25 51  1  0  0  0  0
 26 28  1  0  0  0  0
 26 27  1  0  0  0  0
 26 52  1  0  0  0  0
 28 29  1  0  0  0  0
 28 53  1  0  0  0  0
 28 54  1  0  0  0  0
 29 55  1  0  0  0  0
 30 56  1  0  0  0  0
 31 57  1  0  0  0  0
 32 58  1  0  0  0  0
M  END
>  <SKU>
A14673

>  <Product Name>
paederosidic acid methyl ester

>  <CAS>
122413-01-8

>  <M.Wt>
478.46754

>  <Formula>
C19H26O12S

>  <Synonyms>
N/A

>  <URL>
https://www.adooq.com/paederosidic-acid-methyl-ester.html

$$$$
