
 OpenBabel04291915413D

 28 29  0  0  0  0  0  0  0  0999 V2000
   15.7476    0.6680   -1.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9876    1.2652   -2.4963 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4932    1.1392   -2.2487 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7522    1.7214   -3.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4382    1.7214   -3.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7162    2.2886   -4.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4021    2.2886   -4.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6801    1.7214   -3.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3372    1.2051   -2.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5962    0.6229   -1.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4572    2.8709   -5.6508 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6801    2.8559   -5.6215 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4525    2.8559   -5.6215 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7637    1.1914   -2.3514 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7996    0.7567   -1.4974 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4891   -0.3651   -1.2194 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4891    1.1921   -0.4268 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2461    0.7411   -3.3926 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2461    2.2983   -2.6000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2347    1.6632   -1.3524 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2347    0.1060   -2.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2682    2.1268   -4.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6481    1.7214   -3.3925 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3692    1.2051   -2.3784 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1047   -0.3268   -1.2727 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2502    0.6881   -0.2242 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7707    3.8925   -5.7041 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9125    2.7619   -6.6129 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  2  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <SKU>
A13231

>  <Product Name>
Ligustilide

>  <CAS>
4431-01-0

>  <M.Wt>
190.23836

>  <Formula>
C12H14O2

>  <Synonyms>
LIG

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

$$$$
