
 OpenBabel04291915473D

 82 82  0  0  1  0  0  0  0  0999 V2000
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   -4.7274   -2.1215    1.2268 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0446   -1.5572    2.0787 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0627   -3.4077    1.6898 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2141   -3.1718    2.2975 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3476   -4.7120   -0.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5728   -6.2778   -2.3631 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8666   -6.1658   -2.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1041    0.2514    1.4978 S   0  3  3  0  0  0  0  0  0  0  0  0
    0.6875   -1.2801    2.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0763    1.2272    0.5332 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2817    1.5622    1.3964 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1576    2.4457    0.5231 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0490    2.7027    1.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4245    3.6712    0.1746 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5163    1.7155   -0.7156 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4993    1.1959   -1.4335 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6736    1.5761   -1.1008 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2154   -2.3211   -0.3604 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4744   -1.0528   -0.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1459    0.0962    0.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4744    1.2454    0.1947 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1459    2.3945    0.3743 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9179    2.3943    0.3758 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4276    3.2969   -0.7442 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4867    2.9757    1.8799 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.4266    0.9726    0.1547 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4744    3.5437    0.5528 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1315   -1.0527   -0.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9780    0.0964    0.0151 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1967   -0.4219   -1.3271 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1967    1.5179    0.2373 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0074    0.7578    0.1439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2223   -0.7119   -0.3821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0103   -1.8570    2.6195 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5360   -1.0443    2.6569 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0047   -1.8444    1.1973 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6084    2.1326    0.2072 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3935    0.6629   -0.3188 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8048    0.6710    1.6741 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0011    2.0491    2.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0123    4.2640   -0.4114 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1776    4.1738    1.0272 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6160    1.3023   -1.1395 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2674   -2.1280   -0.3295 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9577   -2.7409   -1.3103 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9562   -3.0100    0.4162 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1779    0.0961    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4424    1.2456    0.1938 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3496    4.5559    0.7105 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3068   -1.6655   -0.2608 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6547    0.6705   -0.6968 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9347   -0.5862    2.1231 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9347   -0.5862    2.1231 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 54  1  0  0  0  0
  2  4  1  0  0  0  0
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  2  3  1  6  0  0  0
  2  1  1  0  0  0  0
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  4  6  1  0  0  0  0
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  6 55  1  0  0  0  0
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  9 13  1  0  0  0  0
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 30 32  2  0  0  0  0
 30 31  1  0  0  0  0
 31 71  1  0  0  0  0
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 34 43  1  0  0  0  0
 35 36  1  0  0  0  0
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 36 37  2  0  0  0  0
 36 76  1  0  0  0  0
 37 42  1  0  0  0  0
 37 38  1  0  0  0  0
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 38 40  1  0  0  0  0
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 42 43  2  0  0  0  0
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 43 78  1  0  0  0  0
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 46 80  1  0  0  0  0
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 50 53  2  0  0  0  0
 50 52  2  0  0  0  0
 50 51  1  0  0  0  0
 51 82  1  0  0  0  0
M  CHG  2  23   1  40  -1
M  END
>  <SKU>
A16149

>  <Product Name>
Ademetionine disulfate tosylate

>  <CAS>
97540-22-2

>  <M.Wt>
766.79596

>  <Formula>
C22H34N6O16S4

>  <Synonyms>
SAMe

>  <URL>
https://www.adooq.com/ademetionine-disulfate-tosylate.html

$$$$
