
 OpenBabel04291915433D

 57 57  0  0  0  0  0  0  0  0999 V2000
   13.7839    1.6380    7.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0239    1.3511    6.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5295    1.4130    6.2991 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7695    1.1261    5.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2751    1.1880    5.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5151    0.9011    4.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0207    0.9630    4.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2607    0.6761    2.9864 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7663    0.7380    3.2572 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0253    0.4583    2.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6823    0.2093    0.8942 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1263    0.2081    0.8945 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7833   -0.0410   -0.2159 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2273   -0.0434   -0.2154 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8411   -0.2760   -1.2527 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9493    0.2280    1.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2923    0.4771    2.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6823    0.2104    0.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0685    0.4431    1.9313 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9433    0.4793    2.1153 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498    0.7422    3.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2748   -0.0266   -0.1348 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8878   -0.0255   -0.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0423   -0.3195   -1.4688 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5813    0.4595    2.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9675    0.6922    3.0417 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9068    0.2049    0.8642 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8359    1.5944    7.1224 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5247    0.9081    8.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5261    2.6133    7.6697 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2817    0.3758    5.6716 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2831    2.0809    5.2900 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2717    2.3883    6.6558 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2703    0.6832    7.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0272    0.1508    4.6576 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0287    1.8559    4.2760 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0173    2.1633    5.6418 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0159    0.4582    6.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7728   -0.0742    3.6437 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7743    1.6309    3.2621 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7629    1.9383    4.6279 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7614    0.2332    5.0095 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5184   -0.2992    2.6298 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5199    1.4059    2.2482 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5085    1.7133    3.6139 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5070    0.0082    3.9955 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1663    0.0145    0.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1978    0.7013    3.0961 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5097    1.7167    3.6446 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5068    0.0114    4.0254 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5311   -0.2455   -1.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5319    0.9375    0.1663 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5304   -0.7676    0.5479 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9903   -0.2752   -1.2783 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2993   -1.2948   -1.8259 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3023    0.4105   -2.2067 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9698    0.2057    0.8640 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2 31  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5 37  1  0  0  0  0
  5 38  1  0  0  0  0
  6  7  1  0  0  0  0
  6 39  1  0  0  0  0
  6 40  1  0  0  0  0
  7  8  1  0  0  0  0
  7 41  1  0  0  0  0
  7 42  1  0  0  0  0
  8  9  1  0  0  0  0
  8 43  1  0  0  0  0
  8 44  1  0  0  0  0
  9 10  1  0  0  0  0
  9 45  1  0  0  0  0
  9 46  1  0  0  0  0
 10 25  1  0  0  0  0
 10 11  2  3  0  0  0
 11 12  1  0  0  0  0
 11 47  1  0  0  0  0
 12 13  2  0  0  0  0
 12 18  1  0  0  0  0
 13 24  1  0  0  0  0
 13 14  1  0  0  0  0
 14 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 22  1  0  0  0  0
 16 17  2  0  0  0  0
 17 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 22 23  1  0  0  0  0
 23 51  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 24 54  1  0  0  0  0
 24 55  1  0  0  0  0
 24 56  1  0  0  0  0
 25 27  1  0  0  0  0
 25 26  2  0  0  0  0
 27 57  1  0  0  0  0
M  END
>  <SKU>
A14440

>  <Product Name>
E3330

>  <CAS>
136164-66-4

>  <M.Wt>
378.4593

>  <Formula>
C21H30O6

>  <Synonyms>
E 3330, E-3330

>  <URL>
https://www.adooq.com/e3330.html

$$$$
