
 OpenBabel04291915363D

 81 85  0  0  1  0  0  0  0  0999 V2000
   -0.9543   10.6093    4.4521 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4642   11.1548    4.4254 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6157   11.7107    3.5238 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4520   10.0008    4.4811 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8705   10.5463    4.4545 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8582    9.3923    4.5101 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6426    8.4826    3.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2241    7.9371    3.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0085    7.0274    2.1398 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9716    5.9023    2.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2635    6.1421    2.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2266    5.0170    2.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6451    5.5625    2.2098 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7968    6.2029    3.0535 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1775    0.4011    2.4591 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1898    1.5550    2.4034 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4054    2.4647    3.6019 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4176    3.6187    3.5462 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5694    4.2591    4.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6328    4.4085    2.2655 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4172    3.4988    1.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9987    2.9533    1.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7831    2.0436   -0.1048 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9346    2.5996   -1.0064 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7709    0.8896   -0.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5553   -0.0201   -1.2477 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1894    1.4351   -0.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4580    1.5340   -0.0800 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0513    4.9540    2.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9619   -0.5086    1.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430    8.6025    5.7909 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7948    9.2429    6.6345 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6798   12.0645    5.6239 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0155   12.8768    5.5847 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0983   12.6100    5.5973 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5901    6.4819    2.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2412    9.9242    4.4841 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4321   11.1354    4.4255 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2905    9.0773    4.5249 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1057   10.0533    5.3536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1060    9.9689    3.6084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6496   11.4216    4.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3002    9.3604    3.6374 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3005    9.4448    5.3827 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0222   11.1867    5.2981 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0219   11.1023    3.5529 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3379    7.6703    3.3508 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7941    9.0386    2.4100 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5288    8.7495    3.2991 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0727    7.3812    4.2398 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6075    7.1139    2.1351 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0748    4.3766    1.3928 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0751    4.4610    3.1381 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3412    2.1110    1.5018 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1912    1.1710    2.4222 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2539    1.9088    4.5035 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4039    2.8487    3.5831 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1125    2.6865    1.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5687    4.0548    0.1654 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3034    3.7656    1.0545 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8473    2.3973    1.9952 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1735    0.3052   -2.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    0.0187   -1.5447 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8125   -1.0246   -0.9838 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7033    1.0507   -0.9320 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7036    1.1352    0.8133 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1597    2.5035   -0.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3207    1.0300    0.7374 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2027    5.5100    1.3373 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7466    4.1417    2.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2031    5.5944    3.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7228   -1.2607    1.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0096    0.0690    0.3612 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0016   -0.9746    1.3347 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7936   11.7976    5.6365 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2501   13.2503    6.4410 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2498   13.1659    4.6957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1053    7.2943    2.1272 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4386    5.9260    3.0680 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4383    5.8415    1.3227 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1649    9.4135    4.5085 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 40  1  0  0  0  0
  1 41  1  0  0  0  0
  1 42  1  0  0  0  0
  2  4  1  0  0  0  0
  2 33  1  0  0  0  0
  2  3  1  6  0  0  0
  4  5  1  0  0  0  0
  4 43  1  0  0  0  0
  4 44  1  0  0  0  0
  5  6  1  0  0  0  0
  5 45  1  0  0  0  0
  5 46  1  0  0  0  0
  6 37  1  6  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 47  1  0  0  0  0
  7 48  1  0  0  0  0
  8  9  1  0  0  0  0
  8 49  1  0  0  0  0
  8 50  1  0  0  0  0
  9 36  1  6  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 51  1  0  0  0  0
 12 13  1  0  0  0  0
 12 52  1  0  0  0  0
 12 53  1  0  0  0  0
 13 20  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  1  0  0  0
 16 17  1  0  0  0  0
 16 54  1  0  0  0  0
 16 55  1  0  0  0  0
 17 18  1  0  0  0  0
 17 56  1  0  0  0  0
 17 57  1  0  0  0  0
 18 20  1  0  0  0  0
 18 19  1  6  0  0  0
 18 25  1  0  0  0  0
 20 29  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 58  1  0  0  0  0
 21 59  1  0  0  0  0
 22 23  1  0  0  0  0
 22 60  1  0  0  0  0
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 23 28  1  0  0  0  0
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 25 27  1  0  0  0  0
 25 26  1  0  0  0  0
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 26 63  1  0  0  0  0
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 35 76  1  0  0  0  0
 35 77  1  0  0  0  0
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 36 79  1  0  0  0  0
 36 80  1  0  0  0  0
 37 39  1  0  0  0  0
 37 38  2  0  0  0  0
 39 81  1  0  0  0  0
M  END
>  <SKU>
A10961

>  <Product Name>
Ursolic acid (Malol)

>  <CAS>
77-52-1

>  <M.Wt>
456.70032

>  <Formula>
C30H48O3

>  <Synonyms>
Malol, Prunol, Urson, NSC 4060, NSC 167406, Maerotaine, Bungeolic Acid

>  <URL>
https://www.adooq.com/ursolic-acid-malol.html

$$$$
