
 OpenBabel04291915393D

 65 67  0  0  1  0  0  0  0  0999 V2000
    1.5847   27.5420   18.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3452   28.9243   18.6375 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9554   29.9742   17.7233 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4502   29.7293   17.5975 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8798   30.4683   16.9539 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6897   28.3470   17.0123 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2356   28.2854   16.0455 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1846   28.1021   16.8865 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6142   28.8411   16.2429 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9903   29.0118   20.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4031   26.8408   16.3526 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6412   25.7690   16.6537 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4201   25.8806   16.7109 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2622   24.4905   16.9087 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5200   23.4465   17.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1409   22.1680   17.4571 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3825   21.1011   17.7569 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9600   19.9121   17.9940 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2958   19.7900   17.9315 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8733   18.6010   18.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4768   22.0460   17.3945 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0577   20.8618   17.6304 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3798   21.1062   17.7547 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0795   27.2971   17.9266 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3130   25.9494   17.3561 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9216   25.8283   16.2969 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8246   24.7787   18.0461 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0316   23.5838   17.5403 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5432   22.4131   18.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7548   21.1919   17.7134 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3006   20.1032   18.3551 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6348   20.2357   19.5138 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1806   19.1470   20.1556 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8774   22.5456   19.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4223   21.4625   20.0331 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7579   21.1967   17.7110 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0530   29.8110   18.8806 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1123   29.1630   18.7602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9079   28.2971   18.4081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5647   30.3320   19.2589 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1305   27.4804   17.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1551   26.8030   18.6960 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6370   27.3696   17.9638 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7868   30.9472   18.1352 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5012   29.9125   16.7564 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7554   28.2530   20.7279 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9450   29.7865   20.7477 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2888   24.3967   16.8607 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4934   23.5403   17.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3559   21.1949   17.8049 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1567   17.6304   18.3751 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1925   22.7579   17.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6548   21.6914   17.4649 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4477   21.1914   17.7983 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0272   27.4695   18.0152 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5337   27.3587   18.8935 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3130   24.8806   18.9366 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5433   23.4819   16.6499 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2665   21.0900   16.8230 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9010   18.2223   20.5185 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6346   23.4007   19.9134 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7392   22.2221   19.5853 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2224   21.1043   16.9026 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6635   29.1410   19.4640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4862   30.4830   19.3364 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 41  1  0  0  0  0
  1 42  1  0  0  0  0
  1 43  1  0  0  0  0
  2  1  1  6  0  0  0
  2 38  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3 44  1  0  0  0  0
  3 45  1  0  0  0  0
  4  6  1  0  0  0  0
  4  5  1  6  0  0  0
  4 37  1  0  0  0  0
  6 24  1  0  0  0  0
  6  8  1  0  0  0  0
  6  7  1  6  0  0  0
  8 10  1  0  0  0  0
  8  9  1  6  0  0  0
  8 11  1  0  0  0  0
 10 46  1  0  0  0  0
 10 47  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  3  0  0  0
 14 48  1  0  0  0  0
 15 16  1  0  0  0  0
 15 49  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 50  1  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 19 22  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 51  1  0  0  0  0
 21 52  1  0  0  0  0
 22 53  1  0  0  0  0
 23 54  1  0  0  0  0
 24 25  1  0  0  0  0
 24 55  1  0  0  0  0
 24 56  1  0  0  0  0
 25 27  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  2  3  0  0  0
 27 57  1  0  0  0  0
 28 29  1  0  0  0  0
 28 58  1  0  0  0  0
 29 30  2  0  0  0  0
 29 34  1  0  0  0  0
 30 31  1  0  0  0  0
 30 59  1  0  0  0  0
 31 36  1  0  0  0  0
 31 32  2  0  0  0  0
 32 35  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 60  1  0  0  0  0
 34 61  1  0  0  0  0
 35 62  1  0  0  0  0
 36 63  1  0  0  0  0
 37 64  1  0  0  0  0
 38 40  1  0  0  0  0
 38 39  2  0  0  0  0
 40 65  1  0  0  0  0
M  END
>  <SKU>
A12074

>  <Product Name>
Isochlorogenic acid C

>  <CAS>
32451-88-0

>  <M.Wt>
512.50522

>  <Formula>
C27H28O10

>  <Synonyms>
N/A

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

$$$$
