
 OpenBabel04291915443D

 64 68  0  0  1  0  0  0  0  0999 V2000
    9.1038   -8.7598    3.1344 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4103   -9.8895    3.5425 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3898  -10.9833    3.9377 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0469  -10.9829    3.9388 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3755   -9.8887    3.5447 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0325   -9.8883    3.5457 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4042   -9.8898    3.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3105   -8.7112    3.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9243   -7.7108    2.7638 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9615   -8.7108    3.1247 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2680   -7.5801    2.7192 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2264   -7.8411    2.8143 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.9674   -6.6330    2.3811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2814   -6.6326    2.3821 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8325   -9.4108    4.6963 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9056   -8.8581    3.2644 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5636   -9.1670    4.6075 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1987   -9.7413    6.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4887  -10.8989    6.5491 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8162   -4.2724    1.5367 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2362   -4.2720    1.5378 C   0  0  3  0  0  0  0  0  0  0  0  0
   -7.7429   -2.9231    1.0539 C   0  0  3  0  0  0  0  0  0  0  0  0
   -7.2373   -2.6684   -0.3568 C   0  0  3  0  0  0  0  0  0  0  0  0
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   -5.2459   -0.8272   -3.5703 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0644  -12.0824    4.3336 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1558   -8.9436    3.2008 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8453   -7.9352    3.7654 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8453   -8.5289    2.1221 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5309  -11.8235    4.2424 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8915   -9.0481    3.2410 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4362   -9.8901    3.5407 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -6.5839    2.3304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4856   -8.6644    2.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4514   -5.7920    2.0786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7974   -7.4736    2.6846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3735   -5.8057    1.8981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5999   -8.0922    5.3190 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7014   -9.0731    2.5821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2507   -9.9251    6.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9395   -8.9181    6.7664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7237  -11.6453    5.9758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5936   -5.0419    0.8864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3855   -2.1532    1.7053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5947   -3.4383   -1.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3865   -0.5496   -0.1893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5565   -0.6742   -3.1953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3616   -2.0147   -1.9118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3609   -0.2953   -1.6011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5699   -1.5251   -4.1609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4879   -2.0171   -1.4302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4933   -1.9708    0.2327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4869   -3.6207    0.4644 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0013  -12.0827    4.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4 36  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 40  1  0  0  0  0
  6  7  1  0  0  0  0
  6 41  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  2  0  0  0  0
  8 42  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  2  0  0  0  0
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 12 13  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
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 14 15  2  0  0  0  0
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 35 63  1  0  0  0  0
 36 64  1  0  0  0  0
M  END
>  <SKU>
A14582

>  <Product Name>
Picroside II

>  <CAS>
39012-20-9

>  <M.Wt>
512.46062

>  <Formula>
C23H28O13

>  <Synonyms>
Amphicoside II, Vanilloyl catalpol

>  <URL>
https://www.adooq.com/picroside-ii.html

$$$$
