
 OpenBabel04291915373D

 78 79  0  0  1  0  0  0  0  0999 V2000
    5.8413    9.3800    5.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5739    9.4544    4.6521 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0401   10.3500    4.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9398    9.4634    3.1768 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6981    8.1912    2.8351 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9556    8.1975    1.7966 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8232    6.9844    3.1328 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5657    6.9781    4.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5815    5.7121    2.7911 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4737    5.6597    3.3795 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7285    4.5355    3.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2914    4.3262    4.3028 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6514    5.2667    5.3900 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2671    6.0483    4.9962 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4116    4.5206    6.4744 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3024    4.0978    6.0589 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7717    5.4611    7.5616 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5280    6.5044    7.3042 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8788    7.4208    8.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6352    8.4641    8.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1155    8.6941    6.7640 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8221    9.6687    6.5236 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7762    7.8078    5.7395 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2408    8.0303    4.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9216    7.1963    3.4774 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4019    7.4264    2.1352 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1085    8.4010    1.8948 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0511    6.5100    1.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2947    5.4667    1.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6990    8.2476    4.9498 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0719    9.1767    4.1586 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3702    9.9558    5.0592 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3904    7.3962    2.1004 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9952    9.4046    9.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5946    3.4834    6.9970 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3048    2.7864    8.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4967    5.8147    5.9286 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1487    5.7641    5.9175 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5033    6.6959    5.4459 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4873    4.6518    6.4424 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4384    3.1496    4.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9474    5.7211    1.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6392    7.0539    2.3519 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8821    8.1216    3.6160 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4394    6.8424    3.3525 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3751    8.4844    5.2474 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5837    9.3737    6.5265 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4571   10.2295    5.2784 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5556   10.3129    2.9672 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0476    9.5158    2.5884 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4778    3.8806    2.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4284    5.2967    8.5208 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8713    6.6688    6.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5355    7.2564    9.3228 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2096    7.0262    5.9323 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3275    6.3770    3.6796 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6848    8.3244    4.6176 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4824    7.9079    5.9410 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9570    8.1779    1.9076 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0629    7.2394    3.0155 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5528    9.0757   10.1106 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6334   10.3825    8.9535 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0593    9.4346    9.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6891    2.0048    8.4037 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5647    3.4654    8.7949 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1956    2.3636    7.5945 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0049    3.9045    6.8206 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5036    4.6148    6.4343 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2853    2.5896    3.6942 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4940    3.4788    4.9733 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9199    2.5308    5.3212 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0552    5.7735    0.7274 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4812    4.8255    1.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5633    6.5706    1.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8727    7.0596    1.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3421    6.7240    3.9148 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6557    6.7558    2.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7404    6.0835    3.6361 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 46  1  0  0  0  0
  1 47  1  0  0  0  0
  1 48  1  0  0  0  0
  2  4  1  0  0  0  0
  2 30  1  0  0  0  0
  2  3  1  1  0  0  0
  2  1  1  0  0  0  0
  4  5  1  0  0  0  0
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  9 42  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  1  1  0  0  0
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 13 14  1  6  0  0  0
 13 37  1  0  0  0  0
 15 35  1  0  0  0  0
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 15 16  1  6  0  0  0
 17 18  2  0  0  0  0
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 18 19  1  0  0  0  0
 18 53  1  0  0  0  0
 19 20  2  0  0  0  0
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 20 34  1  0  0  0  0
 20 21  1  0  0  0  0
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M  END
>  <SKU>
A11272

>  <Product Name>
IPI-493

>  <CAS>
64202-81-9

>  <M.Wt>
545.62456

>  <Formula>
C28H39N3O8

>  <Synonyms>
IPI493; IPI 493; NSC 255109;17-Aminogeldanamycin;17-Amino Geldanamycin;17-Aminodemethoxygeldanamycin;17-Amino-17-demethoxygeldanamycin;

>  <URL>
https://www.adooq.com/ipi-493.html

$$$$
