
 OpenBabel04291915443D

 54 56  0  0  1  0  0  0  0  0999 V2000
    5.0027    0.4280    2.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3312    0.2047    1.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9883    0.2036    1.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3168    0.4258    2.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9739    0.4247    2.1887 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3456    0.4291    2.1878 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0676    0.6691    3.4151 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4105    0.6702    3.4149 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0820    0.8946    4.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4105    1.1178    5.6974 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0820    1.3422    6.8385 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4249    1.3433    6.8383 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0964    1.1201    5.6970 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4249    0.8957    4.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0676    1.1167    5.6976 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4403    0.4595    2.3490 O   0  3  0  0  0  0  0  0  0  0  0  0
   12.4454    1.1212    5.6967 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4075    1.5665    7.9851 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0850    0.4460    2.2683 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4720    0.4471    2.2681 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9787    0.1718    0.8617 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.4710    1.2513   -0.0802 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9776    0.9760   -1.4865 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.4699    2.0555   -2.4284 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9463   -0.5614    3.1480 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9499    2.0543   -2.4282 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4756    3.0628   -3.3081 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3976    0.9771   -1.4868 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0510    1.2502   -0.0799 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3987    0.1729    0.8615 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9913    0.6500    3.3350 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    0.2036    1.0468 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9739   -0.0185   -0.0947 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    4.4867    0.5987    3.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8472    0.0340    0.1693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0581    0.4238    2.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1140    0.8954    4.5559 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9409    1.5157    7.7153 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7854    0.7099    3.6068 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9138    1.2777    6.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4705    1.5657    7.9852 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8280    1.4018    2.5949 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6227   -0.7829    0.5349 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8269    2.2060    0.2466 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6217    0.0213   -1.8133 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7869    2.6663   -3.2478 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5933    2.2481   -1.4382 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5940    1.0996   -2.7550 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7983    3.9283   -3.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7203    1.8426   -1.1905 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7283    0.3847   -0.3762 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7213    1.0384    1.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9283    0.6508    3.3348 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8058    0.0486    0.2503 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2 35  1  0  0  0  0
  3 32  1  0  0  0  0
  3  4  2  0  0  0  0
  4 31  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 16  1  0  0  0  0
  8 19  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 37  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 18  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 38  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  2  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 20 42  1  0  0  0  0
 21 30  1  0  0  0  0
 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
 22 29  1  0  0  0  0
 22 23  1  0  0  0  0
 22 44  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  1  0  0  0  0
 23 45  1  0  0  0  0
 24 26  1  0  0  0  0
 24 25  1  0  0  0  0
 24 46  1  0  0  0  0
 26 27  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
 29 51  1  0  0  0  0
 30 52  1  0  0  0  0
 31 53  1  0  0  0  0
 32 54  1  0  0  0  0
M  CHG  2  16   1  33  -1
M  END
>  <SKU>
A14635

>  <Product Name>
Cyanidin-3-O-glucoside chloride

>  <CAS>
7084-24-4

>  <M.Wt>
484.83784

>  <Formula>
C21H21ClO11

>  <Synonyms>
Kuromanin

>  <URL>
https://www.adooq.com/cyanidin-3-o-glucoside-chloride.html

$$$$
