
 OpenBabel04291915393D

 45 47  0  0  0  0  0  0  0  0999 V2000
   16.4479    0.1465    0.4641 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0974    0.0418    0.1659 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1744    0.3726    1.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8668    0.2713    0.8036 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9480    0.5995    1.7263 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3367    1.0292    2.9378 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6443    1.1305    3.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0932    0.0444    0.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3487    1.3821    3.9300 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7374    1.8118    5.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8186    2.1390    6.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1740    2.5317    7.1720 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5110    2.0365    5.7762 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5922    2.3637    6.6993 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9809    2.7934    7.9108 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0621    3.1206    8.8339 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4508    3.5502   10.0454 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1223    1.6069    4.5647 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2071    1.0764    3.0676 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7486    3.0177    8.5442 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7996    3.3556    9.4976 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5904    2.3607    6.6942 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2399    2.2538    6.3967 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2787    2.2608    6.4096 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0509    1.9147    5.4312 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4524    2.3584    6.6825 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4763   -0.1603   -0.4134 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0251   -0.1562   -0.3845 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6793   -0.4848    1.2964 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6811    1.1613    0.7105 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9431    0.5216    1.5044 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1028    1.4394    4.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6646   -0.2435   -0.6401 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5429    3.8937   11.0141 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8198    3.2117    9.0922 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9233    4.3813    9.7760 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9235    2.7345   10.3600 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1226    1.8976    5.3946 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7770    3.2139    6.4905 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7784    1.5675    7.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0074    1.9611    5.5643 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5213    2.3750    6.7289 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0730    1.6978    7.4338 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0728    3.3447    6.8499 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1174   -0.3894   -1.0572 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
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4 27  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 31  1  0  0  0  0
  6  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  2  0  0  0  0
  9 19  1  0  0  0  0
 10 25  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 24  1  0  0  0  0
 14 15  1  0  0  0  0
 15 22  1  0  0  0  0
 15 16  2  0  0  0  0
 16 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  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
 22 23  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 26  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 45  1  0  0  0  0
M  END
>  <SKU>
A12134

>  <Product Name>
Vitexicarpin

>  <CAS>
479-91-4

>  <M.Wt>
374.34142

>  <Formula>
C19H18O8

>  <Synonyms>
Casticin

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

$$$$
