
 OpenBabel04291915453D

 79 82  0  0  1  0  0  0  0  0999 V2000
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    2.6489    2.1608   -4.2656 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1555    3.3131   -5.1175 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6755    3.3131   -5.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1822    3.4748   -3.6936 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6755    2.3224   -2.8416 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6489    4.6271   -4.5455 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1555    5.7795   -5.3974 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2513    6.6343   -6.0294 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1289    2.1608   -4.2656 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8310    2.1846   -0.1319 C   0  0  3  0  0  0  0  0  0  0  0  0
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    1.1289    4.6271   -4.5455 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0104    3.1407   -5.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5724    3.0010   -6.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9304    4.0025   -7.4986 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4152    5.3694   -7.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4419    4.0554   -7.6504 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3427    3.6356   -8.7381 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6022    3.4748   -3.6936 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6489    3.1515   -6.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1714    0.5072   -3.9273 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4212    0.3199   -3.2334 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7722    5.4383   -5.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7722    4.7409   -3.5431 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7722    3.7021   -4.9482 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0055    3.7501   -1.2673 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5789    3.6364   -2.2696 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0055    4.4476   -2.8694 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6037    3.9478   -4.9875 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9791    2.1938   -6.7147 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3512    5.3321   -6.9716 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6737    6.0924   -7.8236 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8580    5.6458   -6.1444 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8045    3.0932   -7.9462 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8847    4.3318   -6.7164 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7004    4.7785   -8.3956 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6715    2.7633   -9.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6350   -0.6390    2.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <SKU>
A15363

>  <Product Name>
Cucurbitacin I

>  <CAS>
CAS: 2222-07-3

>  <M.Wt>
514.65028

>  <Formula>
C30H42O7

>  <Synonyms>
Elatericin B, JSI-124 

>  <URL>
https://www.adooq.com/cucurbitacin-i.html

$$$$
