
 OpenBabel04291915393D

 52 55  0  0  1  0  0  0  0  0999 V2000
    7.2432    1.3296    2.5012 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0016    1.5861    2.9438 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6211    1.1617    4.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4824    0.4809    4.9332 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1019    0.0566    6.1492 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6237    1.7539    1.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9588    1.4781    0.8093 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3392    1.9024   -0.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5809    1.6459   -0.8493 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3682    1.0235   -0.1423 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9614    2.0702   -2.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2030    1.8137   -2.5078 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0643    1.1329   -1.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3059    0.8764   -2.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1672    0.1956   -1.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1001    2.7511   -2.8387 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7634    0.8420    1.5319 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6881    1.3026   -3.3985 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5401    0.6762   -0.4256 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.8502    1.3565    0.3398 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0217    0.6286   -0.4765 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6433    0.2989    0.4684 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4813    2.0160   -0.7825 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7914    2.6963   -0.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9629    1.9684   -0.8335 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5845    1.6386    0.1115 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4225    3.3557   -1.1395 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3537    3.3222   -1.1753 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0450   -0.6199   -0.1398 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8630    4.3222   -0.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3581    5.6183   -0.3380 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5515    1.0655   -1.8493 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9835    2.4536   -2.0366 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6103   -0.2743   -1.4924 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5852    2.2400   -3.7293 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7297    0.2232    4.4886 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0029    1.5870    2.9378 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9051    0.8064    3.0956 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3397    2.1093    2.3495 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8096   -0.2695    7.0837 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6774    2.4256   -1.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9613   -0.3017   -0.9709 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0872    1.7777   -3.9382 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9318    4.3557   -0.0162 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4846    3.9924    0.8929 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7012    5.9172   -1.1946 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8945    1.3644   -2.7059 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7025    1.8368   -2.7305 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9533    0.0246   -2.3490 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9843    2.7150   -4.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9951    0.5193    3.6402 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4020    2.0621    2.3982 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 38  1  0  0  0  0
  2  3  1  0  0  0  0
  2 39  1  0  0  0  0
  3 37  1  0  0  0  0
  3  4  2  0  0  0  0
  4 36  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 40  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 41  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 35  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 42  1  0  0  0  0
 16 17  1  0  0  0  0
 18 43  1  0  0  0  0
 19 21  1  0  0  0  0
 19 29  1  0  0  0  0
 19 20  1  1  0  0  0
 19 13  1  0  0  0  0
 21 34  1  0  0  0  0
 21 23  1  0  0  0  0
 21 22  1  1  0  0  0
 23 25  1  0  0  0  0
 23 24  1  1  0  0  0
 23 33  1  0  0  0  0
 25 32  1  0  0  0  0
 25 27  1  0  0  0  0
 25 26  1  1  0  0  0
 27 30  1  0  0  0  0
 27 28  1  6  0  0  0
 27 29  1  0  0  0  0
 30 31  1  0  0  0  0
 30 44  1  0  0  0  0
 30 45  1  0  0  0  0
 31 46  1  0  0  0  0
 32 47  1  0  0  0  0
 33 48  1  0  0  0  0
 34 49  1  0  0  0  0
 35 50  1  0  0  0  0
 36 51  1  0  0  0  0
 37 52  1  0  0  0  0
M  END
>  <SKU>
A12075

>  <Product Name>
Isoorientin

>  <CAS>
4261-42-1

>  <M.Wt>
448.3769

>  <Formula>
C21H20O11

>  <Synonyms>
Homoorientin

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

$$$$
