
 OpenBabel04291915443D

 49 51  0  0  1  0  0  0  0  0999 V2000
    0.9791   -0.0774   -0.0597 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2931   -0.0774   -0.0597 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0341    0.9389    0.7241 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6669    2.3280    0.2282 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9260   -0.2844   -3.4800 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8522   -0.7092   -2.4039 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5092    0.1919   -1.7089 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3406    1.5036   -1.9749 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0341    2.4548   -1.2413 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6911    3.7525   -1.7047 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0341    3.8710   -3.0775 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6669    5.2601   -3.5735 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4269    6.3024   -2.7695 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0597    7.6915   -3.2655 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8197    8.7338   -2.4615 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3241    2.8972   -3.8286 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4525    8.6070   -0.9920 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1625    9.5808   -0.2410 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4028    7.8100   -4.6383 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0839    6.1839   -1.3967 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0099    5.3785   -4.9463 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0327   -2.1133   -2.1192 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -2.4651   -1.2278 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3582   -3.0384   -2.8326 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6669    0.8120    2.1936 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2708    1.0175    2.3521 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4302    0.7334    0.5656 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2550   -0.0330    0.6743 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8091   -0.7851   -0.6055 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5989    3.0733    0.9929 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5299   -0.4080   -4.4663 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -0.1039   -0.9596 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0861    2.2999   -1.3608 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0861    3.7161   -3.1969 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6149    5.4149   -3.4540 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4789    6.1476   -2.8889 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0077    7.8463   -3.1461 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3492    9.6563   -2.5781 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7110    7.6292   -0.6429 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4005    8.7618   -0.8726 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1162    9.4404   -0.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3564    7.6696   -4.7466 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1302    6.3243   -1.2884 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9636    5.2382   -5.0545 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4753   -3.9495   -2.6479 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2019    1.5458    2.7596 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9254   -0.1658    2.5428 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0365    1.9040    2.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6645   -0.1531    0.8821 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  5  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  3 27  1  0  0  0  0
  3 25  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  2  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 11 34  1  0  0  0  0
 12 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 35  1  0  0  0  0
 13 20  1  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 14 37  1  0  0  0  0
 15 17  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 45  1  0  0  0  0
 25 26  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
M  END
>  <SKU>
A14650

>  <Product Name>
Monotropein

>  <CAS>
5945-50-6

>  <M.Wt>
390.33928

>  <Formula>
C16H22O11

>  <Synonyms>
N/A

>  <URL>
https://www.adooq.com/monotropein.html

$$$$
