
 OpenBabel04291915343D

 76 78  0  0  1  0  0  0  0  0999 V2000
    4.5476    7.0918   -6.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0590    7.2401   -6.1942 C   0  0  1  0  0  0  0  0  0  0  0  0
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    5.9105    9.3295   -4.8626 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2771   10.8041   -4.8221 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7620   11.4190   -3.5310 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3916   10.7075   -2.3444 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0290   11.1404   -1.4356 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3500   11.2805   -3.4711 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0250    9.2330   -2.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6546    8.5215   -1.1985 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3965    7.4835   -1.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1845    9.0826   -0.0203 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3948   10.3905    0.2348 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0022   11.0840   -0.5758 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8925   10.9900    1.4936 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2592   12.4645    1.5342 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3231   12.5689    1.4891 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6296   13.1760    0.3476 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1559   13.0314    0.4101 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4439   14.0288    0.4819 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5420   11.6828    0.3859 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4772   11.7746    0.4387 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6887    6.5287   -5.0077 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3260    6.9615   -4.0988 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3462    5.1511   -5.0456 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0406   10.8777    1.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9962   14.6505    0.3882 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1447   12.5611   -0.9435 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7779   13.0389    2.7403 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    8.6661   -1.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8021    8.1087   -2.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2378    8.2506   -2.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9264    7.6810   -3.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5649    7.8429   -3.3759 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.1392    7.0478   -4.7002 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8630    8.9291   -1.3893 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6740    6.2365   -5.8499 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8418    9.4393   -0.2172 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1286   12.8935   -3.4904 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1850    7.5247   -5.2213 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2896    6.0538   -6.1587 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1044    7.5926   -6.9654 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9824    9.2155   -6.9890 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4896    8.8190   -6.1988 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3537    8.8287   -4.0274 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8466    9.2252   -4.8175 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8339   11.3049   -5.6573 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3411   10.9085   -4.8672 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3876    8.8001   -3.2939 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9610    9.1286   -2.3399 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3358   10.4891    2.3289 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8286   10.8856    1.5387 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8331    4.7165   -5.7632 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1054   10.7858    1.5220 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5974    9.9040    1.5574 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   11.3765    2.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0601   14.7549    0.3431 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6335   15.0834    1.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5530   15.1513   -0.4471 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2086   12.6654   -0.9885 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7015   13.0619   -1.7787 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8866   11.5231   -0.9720 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8134   12.9443    2.7812 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3052    7.5696   -2.9680 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4296    7.1419   -4.0319 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5141    5.9507   -6.4478 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9946    6.8134   -6.4418 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1776    5.3596   -5.4900 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8914    9.4351   -0.4253 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6662    8.9936    0.7395 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4832   10.4474   -0.2124 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1926   12.9979   -3.5355 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7660   13.3264   -2.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6854   13.3943   -4.3257 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 43  1  0  0  0  0
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  2 25  1  0  0  0  0
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  5  6  1  0  0  0  0
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  7 41  1  1  0  0  0
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  8 11  1  0  0  0  0
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 12 13  1  6  0  0  0
 12 32  1  0  0  0  0
 14 15  1  0  0  0  0
 15 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
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 18 20  1  0  0  0  0
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 41 76  1  0  0  0  0
M  END
>  <SKU>
A10360

>  <Product Name>
Epothilone B (EPO906)

>  <CAS>
152044-54-7

>  <M.Wt>
507.68254

>  <Formula>
C27H41NO6S

>  <Synonyms>
Patupilone, Epothilone-B 

>  <URL>
https://www.adooq.com/epothilone-b.html

$$$$
