
 OpenBabel04291915443D

 38 40  0  0  1  0  0  0  0  0999 V2000
    0.9505    0.0857    0.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4325    0.0857    0.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0896    1.2084    0.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3486    2.4743    0.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3363    3.6141    0.6005 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5953    4.8801    0.8118 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2813    4.8799    0.8129 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3363    6.1462    1.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3486    7.2857    1.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1086    8.5843    1.4277 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2091    3.7385   -0.6377 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1969    4.8783   -0.4489 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5716    1.2086    0.1992 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0348    1.6678    1.4233 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9885    0.0855    0.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3748   -0.9632   -0.1586 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0449   -0.1120   -0.0209 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9691    2.4401   -0.8543 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5939    0.2511   -0.9809 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5939    0.8649    0.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5939   -0.8588    0.3686 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7341    2.3868    1.2833 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7327    2.6736   -0.4403 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9522    3.4149    1.4525 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7653    3.9982    0.6666 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7653    5.7614    0.9600 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9507    6.3456    0.1688 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9522    6.0588    1.8924 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7341    7.0863    2.0652 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7327    7.3731    0.3416 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4596    8.8899    2.3911 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0856    9.6209    1.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0860    5.6352    0.2993 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8278    5.5742   -0.9613 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4482   -0.7450    0.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4557    1.8429   -1.5787 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0312    1.9046    0.0700 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9555    2.6587   -1.2068 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  2  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  1  0  0  0  0
  6  7  2  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 18  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
M  END
>  <SKU>
A14708

>  <Product Name>
Atractylenolide III

>  <CAS>
73030-71-4

>  <M.Wt>
248.3175

>  <Formula>
C15H20O3

>  <Synonyms>
N/A

>  <URL>
https://www.adooq.com/atractylenolide-iii.html

$$$$
