
 OpenBabel04291915443D

 61 64  0  0  1  0  0  0  0  0999 V2000
   12.7381    1.3674   -4.7164 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4172    1.3234   -5.8742 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8857    2.4568   -6.4213 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6751    3.6342   -5.8107 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1436    4.7676   -6.3578 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2696    0.2340   -4.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5203    0.2826   -2.8916 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1052   -1.1245   -2.4940 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.3128   -1.9672   -2.3267 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5490   -2.4930   -1.2429 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1524   -2.1564   -3.3655 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4039   -1.0791   -1.2982 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9332   -2.2177   -0.7486 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1257   -3.2939   -1.3068 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2031   -2.1704    0.4963 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7447   -3.2794    1.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0146   -3.2321    2.2766 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5461   -4.3655    2.8237 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7773   -5.6647    2.1492 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.2719   -5.9096    2.0203 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.4883   -7.1255    1.3890 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8680   -4.3216    3.9821 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6585   -3.1444    4.5933 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1270   -2.0110    4.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6926   -3.2760    1.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9773   -3.1003    5.7569 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8836   -4.8221    1.2206 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2039   -4.8299    0.9755 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7581   -3.8444    0.2509 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9921   -2.8511   -0.2286 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5463   -1.8656   -0.9532 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1175   -3.8288    0.7411 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6657   -2.8433    0.0176 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2016   -4.8338    0.9797 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1657   -6.7522    2.9489 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5813   -6.4900    3.9961 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2511   -8.0304    2.5260 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9930    3.6784   -4.6477 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4160    1.3182   -5.8712 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5764    2.2722   -4.2472 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5789    0.4186   -6.3435 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5037    5.6386   -6.7783 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6484    0.8909   -3.0124 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1434    0.6997   -2.1283 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4821   -1.5417   -3.2573 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9159   -2.6892   -3.2598 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0413   -1.2656    0.9656 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9065   -4.1842    0.5624 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3338   -5.6450    1.1757 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7154   -5.9293    2.9938 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0526   -1.0386    4.3838 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1874   -3.4793    0.2357 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6504   -3.8911    6.1386 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7926   -5.5932    1.3440 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1200   -1.1925   -1.4851 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1013   -3.6772    0.8382 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2790   -3.5309    0.5232 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7361   -5.5268    1.3143 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8644   -8.7180    3.0315 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6662    2.8876   -4.2659 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5629    0.4967   -6.2972 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 40  1  0  0  0  0
  2  3  1  0  0  0  0
  2 41  1  0  0  0  0
  3 39  1  0  0  0  0
  3  4  2  0  0  0  0
  4 38  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 42  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 43  1  0  0  0  0
  7 44  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 45  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 46  1  0  0  0  0
 12 13  1  0  0  0  0
 13 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  3  0  0  0
 15 47  1  0  0  0  0
 16 17  1  0  0  0  0
 16 48  1  0  0  0  0
 17 18  2  0  0  0  0
 17 25  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  1  0  0  0  0
 19 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 49  1  0  0  0  0
 20 27  1  0  0  0  0
 20 21  1  0  0  0  0
 20 50  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 26  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 51  1  0  0  0  0
 25 52  1  0  0  0  0
 26 53  1  0  0  0  0
 27 28  2  0  0  0  0
 27 32  1  0  0  0  0
 28 29  1  0  0  0  0
 28 54  1  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 33  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 55  1  0  0  0  0
 32 56  1  0  0  0  0
 33 57  1  0  0  0  0
 34 58  1  0  0  0  0
 35 37  1  0  0  0  0
 35 36  2  0  0  0  0
 37 59  1  0  0  0  0
 38 60  1  0  0  0  0
 39 61  1  0  0  0  0
M  END
>  <SKU>
A14660

>  <Product Name>
lithospermic acid

>  <CAS>
28831-65-4

>  <M.Wt>
538.45638

>  <Formula>
C27H22O12

>  <Synonyms>
N/A

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

$$$$
