
 OpenBabel04291915443D

 71 74  0  0  1  0  0  0  0  0999 V2000
    6.4108    4.7356    0.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8928    4.7354    0.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5499    5.8709    0.3743 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8089    7.1517    0.4572 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9939    5.8708    0.3764 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6077    4.8099    0.3077 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6684    7.0365    0.4538 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0554    7.0364    0.4558 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.5494    8.4306    0.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8697    8.6753    0.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3173    9.9387    0.6495 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4446   10.9573    0.7150 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8923   12.2207    0.7985 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6767    9.4492    0.6135 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2570    9.1860    0.5941 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3843   10.2046    0.6596 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8320   11.4680    0.7431 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1523   11.7128    0.7611 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0249   10.6941    0.6956 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8094    7.9227    0.5106 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7724    6.7985    0.4384 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0124    5.4851    0.3511 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.5639    6.4025   -0.8287 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.0839    6.4024   -0.8265 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0905    5.0666   -0.9170 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0002    4.3321    0.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6019   12.9818    0.8450 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9656   13.2346    0.8636 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9553   12.4912    0.8089 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0580    9.9588    0.6416 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1567   11.0108    0.7092 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2185   12.4665    0.8165 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6809   13.7713    0.9028 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1183   10.7114    0.6969 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2170   11.7635    0.7645 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8676    8.6695    0.5667 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5040    8.4167    0.5493 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542    3.7290    0.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0555    5.2961   -0.5426 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0529    5.1818    1.2009 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4088    3.8436    0.2411 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7569    6.9567    0.4428 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0686    7.7687   -0.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0661    7.6544    1.3660 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4107    6.4759    1.2951 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5403    7.8925    0.5156 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0568   10.7116    0.6983 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3863    6.7979    1.3148 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3889    6.9122   -0.4288 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9830    5.2724    0.5508 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4417    7.0205   -1.6232 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4406    5.4028   -0.9626 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4392    6.7837    0.1080 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7279    4.5299   -1.4135 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9786    4.7134    0.0717 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7076    3.6615   -0.5038 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0095    3.8099    1.2109 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5500   13.5419    0.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8929   13.2851    1.3949 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1582   10.6273    0.6826 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3096   11.6656   -0.1232 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3070   11.5513    1.6204 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7509   13.7712    0.9043 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3229   14.2175    1.8070 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3255   14.3319    0.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2185   11.3800    0.7379 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3699   12.4182   -0.0678 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3673   12.3039    1.6757 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3377    7.3619    0.4807 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0618    8.9031   -0.2949 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0605    8.7899    1.4487 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  2  3  2  3  0  0  0
  2 41  1  0  0  0  0
  3  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4 42  1  0  0  0  0
  4 43  1  0  0  0  0
  4 44  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  8 45  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 46  1  0  0  0  0
 11 36  1  0  0  0  0
 11 12  2  0  0  0  0
 12 34  1  0  0  0  0
 12 13  1  0  0  0  0
 13 32  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 16 30  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 29  1  0  0  0  0
 18 27  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 47  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 50  1  0  0  0  0
 23 25  1  0  0  0  0
 23 24  1  0  0  0  0
 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
 24 53  1  0  0  0  0
 25 54  1  0  0  0  0
 26 55  1  0  0  0  0
 26 56  1  0  0  0  0
 26 57  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 58  1  0  0  0  0
 28 59  1  0  0  0  0
 30 31  1  0  0  0  0
 31 60  1  0  0  0  0
 31 61  1  0  0  0  0
 31 62  1  0  0  0  0
 32 33  1  0  0  0  0
 33 63  1  0  0  0  0
 33 64  1  0  0  0  0
 33 65  1  0  0  0  0
 34 35  1  0  0  0  0
 35 66  1  0  0  0  0
 35 67  1  0  0  0  0
 35 68  1  0  0  0  0
 36 37  1  0  0  0  0
 37 69  1  0  0  0  0
 37 70  1  0  0  0  0
 37 71  1  0  0  0  0
M  END
>  <SKU>
A14837

>  <Product Name>
Schisantherin B

>  <CAS>
58546-55-7

>  <M.Wt>
514.56416

>  <Formula>
C28H34O9

>  <Synonyms>
Gomisin B, Wuweizi ester B

>  <URL>
https://www.adooq.com/schisantherin-b.html

$$$$
