
 OpenBabel04291915433D

 33 33  0  0  1  0  0  0  0  0999 V2000
    0.9555   -0.0879    0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4755   -0.0879    0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9695   -1.4598    0.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2614   -1.6955    0.3278 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2245   -0.5898    0.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6429   -1.1260    0.2167 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7947   -1.5472    1.1886 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6307    0.0081   -0.0039 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6292   -0.3693    0.0693 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4155    1.0800    1.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9970    1.6162    0.9482 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8527   -2.1711   -0.8129 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1536   -3.1801   -0.8145 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4151    0.6064   -1.3844 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2536    1.8268   -1.4474 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3234    2.4704   -2.4905 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9403    2.2304   -0.3587 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5988    0.9025   -0.1745 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5988   -0.4173    0.9705 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5988   -0.7490   -0.7450 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8322    0.5732    0.7790 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8322    0.2415   -0.9365 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2989   -2.2299    0.4312 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6054   -2.6506    0.5134 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0730    0.1648    0.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0727   -0.1686   -0.8591 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1109    1.8783    0.8969 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    0.6588    2.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7935    2.4586    0.3208 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2764    1.9626    1.6592 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7160   -0.0887   -2.1401 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3833    0.8359   -1.5508 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4704    3.0019   -0.3985 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  2  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6  7  1  1  0  0  0
  8 10  1  0  0  0  0
  8  9  1  1  0  0  0
  8 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 33  1  0  0  0  0
M  END
>  <SKU>
A14333

>  <Product Name>
Jasmonic acid

>  <CAS>
6894-38-8

>  <M.Wt>
210.26952

>  <Formula>
C12H18O3

>  <Synonyms>
(-)-Jasmonic acid, JA

>  <URL>
https://www.adooq.com/jasmonic-acid.html

$$$$
