
 OpenBabel04291915443D

 52 55  0  0  1  0  0  0  0  0999 V2000
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    2.5821   -2.2185    1.5416 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7061   -1.6547    1.1498 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1684   -2.7286    1.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6504   -2.7286    1.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3074   -3.6631    2.5453 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2961   -4.8400    3.3631 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.3280   -2.6017    0.2965 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.4541   -1.9596    1.3617 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.7606   -2.9460    2.0471 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4351   -3.9054    2.7137 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7781   -4.8400    3.3631 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5001   -5.8669    4.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5313   -1.0733    0.7458 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2413   -0.0634    0.0441 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.2536    0.8854   -0.6152 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.3797    1.5274    0.4499 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.3920    2.4762   -0.2093 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.5181    3.1182    0.8558 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.0577   -0.6632   -0.9510 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7581    2.0372    1.6069 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417    2.6371    2.6020 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1020    3.4861   -0.9110 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6697    0.5175    1.1517 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9636    1.8952   -1.3169 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6225    0.7481   -0.5198 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6225    0.0040    1.0611 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6225   -0.9931   -0.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8117   -3.6413    1.4664 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8117   -2.6443    2.9013 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7914   -4.3971    3.0553 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1461   -3.7474    1.5401 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6492   -5.4589    3.9491 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1872   -2.5779   -0.3407 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0693   -1.4146    2.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4671   -3.9054    2.7137 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8565    0.4817    0.7292 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6384    0.3403   -1.3003 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9949    2.0725    1.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7768    1.9311   -0.8944 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0823    4.0578    1.1244 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4534    1.3693    2.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1430    1.4922    0.9218 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4994    3.1312    3.2231 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6597    3.9802   -0.2900 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1121    0.0234    0.5306 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5213    2.3894   -0.6958 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  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  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 36  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
  9 37  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  1  0  0  0  0
 11 39  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 20 42  1  0  0  0  0
 21 30  1  0  0  0  0
 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
 22 29  1  0  0  0  0
 22 23  1  0  0  0  0
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 23 28  1  0  0  0  0
 23 24  1  0  0  0  0
 23 45  1  0  0  0  0
 24 26  1  0  0  0  0
 24 25  1  0  0  0  0
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 26 27  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
 29 51  1  0  0  0  0
 30 52  1  0  0  0  0
M  END
>  <SKU>
A14675

>  <Product Name>
paederoside

>  <CAS>
20547-45-9

>  <M.Wt>
446.42568

>  <Formula>
C18H22O11S

>  <Synonyms>
N/A

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

$$$$
