
 OpenBabel04291915393D

 37 38  0  0  1  0  0  0  0  0999 V2000
   10.3138   -0.4255  -10.6665 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8232    0.4592   -9.5922 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1098   -0.0398   -8.4108 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9235   -1.4873   -8.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3247   -1.8025   -6.7210 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.4789   -1.0215   -5.7877 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4852    0.2916   -5.8375 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6611    1.0526   -4.9281 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9546    0.4728   -4.1086 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6681    2.4955   -4.9828 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9017    3.2032   -4.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1288    2.5690   -3.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1223    1.2270   -3.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3494    0.5928   -2.2931 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4410    3.1298   -5.8793 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6478   -1.7035   -4.8237 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6419   -2.9301   -4.7772 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3429   -0.7552   -2.2421 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9082    4.5512   -4.1881 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1462   -3.1893   -6.4738 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0095    1.9066   -9.8502 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1374    0.1517  -11.5501 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3990   -0.8811  -10.3496 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0372   -1.1857  -10.8756 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4645    0.5762   -7.6627 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5342   -2.0512   -8.8267 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8960   -1.7466   -8.3007 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3522   -1.5431   -6.5732 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0792    0.7790   -6.5264 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5398    3.1128   -2.5906 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7113    0.6832   -3.8396 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8036   -1.1978   -1.6165 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4475    4.9938   -4.8137 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2147   -3.4244   -6.6078 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7271    2.1285  -10.8581 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0370    2.1659   -9.7023 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3988    2.4705   -9.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2 21  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  2  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 19  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 13 31  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
M  END
>  <SKU>
A12125

>  <Product Name>
Shikonin

>  <CAS>
54952-43-1

>  <M.Wt>
288.29524

>  <Formula>
C16H16O5

>  <Synonyms>
N/A

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

$$$$
