
 OpenBabel04291915393D

 80 84  0  0  1  0  0  0  0  0999 V2000
    8.7207    6.2830   -2.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9607    5.7656   -0.8581 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9484    5.3102    0.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1884    4.7928    1.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1762    4.3374    2.4759 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0490    3.2275    1.9132 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0001    3.3737   -1.5674 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6435    3.7709   -2.4947 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4821    3.3726   -1.5679 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1391    2.9242   -0.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4171    2.4327    0.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1896    2.4336    0.6284 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1581    1.9271    1.8076 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1704    1.4732    2.8701 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2955    0.3646    2.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5355    0.8832    1.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6606   -0.2254    0.5359 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2750   -1.0513    0.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6728   -0.6792    1.5984 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2976    2.6465    3.2847 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6022    2.3270    4.0326 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1725    3.7551    3.8468 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2996    4.9284    4.2614 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0960    2.7671   -3.3107 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2231    3.8770   -2.7480 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0980    5.0490   -2.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0858    4.5936   -1.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2354    4.3324   -3.8098 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8560    3.2845   -4.5211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2021   -1.7878    1.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4328   -1.1978    2.8083 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9506    0.2591   -0.5944 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9304    0.9546    4.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4161    3.8200    3.6863 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0292    5.4801    2.8796 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9157    5.6249    2.0428 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1215    6.0998    4.0742 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6492    6.7096   -1.7511 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1362    7.0296   -2.5643 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9117    5.4740   -2.7423 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5643    6.1352    0.4951 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5629    4.5289   -0.1924 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5725    3.9678    1.1226 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5740    5.5741    1.8102 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2893    2.3976    2.5445 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0370    3.2487    1.5029 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1711    2.9235   -0.5223 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8713    1.7789    2.5914 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6002    0.0451    3.0559 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9099   -0.4613    2.0161 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2308    1.2027    0.3501 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9211    1.7092    1.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8678    4.0746    3.0989 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7075    3.3901    4.6985 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7038    5.7674    4.7884 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3688    5.1067    4.7581 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6330    5.4132   -3.1860 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4836    5.8303   -1.9379 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5508    4.2294   -0.4201 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7002    3.8123   -1.6683 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6210    5.1138   -3.4137 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6195    3.5074   -4.1013 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7704    4.6966   -4.6619 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3275    3.0211   -5.4134 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8324    2.8475   -4.5427 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9430    4.3492   -4.4592 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2531   -2.7359    1.2333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3095   -1.6564   -0.0202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1657   -1.7515    1.5000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1736   -2.2216    2.9804 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1751   -0.6152    3.6680 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4848   -1.1217    2.6282 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3936    1.0079   -0.3298 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5448    0.1287    3.7881 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2351    0.6351    4.8279 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5463    1.7350    4.4757 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003    2.9950    3.3948 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8017    4.6013    4.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1115    3.4994    4.4337 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8455    5.6586    4.8534 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
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  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
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  4  5  1  0  0  0  0
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  4 44  1  0  0  0  0
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  5 34  1  1  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6 45  1  0  0  0  0
  6 46  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  1  6  0  0  0
  9 25  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 47  1  0  0  0  0
 11 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
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 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 49  1  0  0  0  0
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 17 19  1  0  0  0  0
 17 18  1  6  0  0  0
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 20 22  1  0  0  0  0
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 35 36  2  0  0  0  0
 37 80  1  0  0  0  0
M  END
>  <SKU>
A12199

>  <Product Name>
18&alpha;-Glycyrrhetinic acid

>  <CAS>
1449-05-4

>  <M.Wt>
470.68384

>  <Formula>
C30H46O4

>  <Synonyms>
18&alpha;-GA

>  <URL>
https://www.adooq.com/18-alpha-glycyrrhetinic-acid.html

$$$$
