
 OpenBabel04291915333D

 52 55  0  0  1  0  0  0  0  0999 V2000
   11.3114    1.5426    3.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5303    2.0085    4.6737 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2150    1.7375    4.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4339    2.2034    5.6625 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9681    2.9404    6.6498 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6267    1.8137    3.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2894    3.2127    6.6492 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0197    1.9119    5.6632 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5314    1.2382    4.7606 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1798    2.4129    6.7256 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8645    2.1418    6.7263 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3303    1.4048    5.7389 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1114    0.9389    4.7508 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4267    1.2100    4.7502 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7140    3.1499    7.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6255    0.9241    3.5848 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8791    1.4973    3.0757 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1333   -0.2467    2.7591 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7766   -0.1559    1.7544 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6533   -0.2455    2.7592 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0107   -1.0697    2.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1589    1.0557    2.1577 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8022    1.1465    1.1530 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6789    1.0569    2.1579 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0363    0.2327    1.5766 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1845    2.3581    1.5564 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.2545    2.3590    1.5564 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6609   -1.4623    3.3210 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6779    2.4870    0.1291 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1502    3.7026   -0.4328 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1522    0.9364    3.4912 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6846    2.1495    2.9291 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1266   -0.3660    4.0926 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5219    0.1256    3.6612 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5403   -0.2463    2.7441 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0799    2.6098    7.7188 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9009    0.9763    2.9269 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9408    2.5749    5.4325 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5996    1.7964    3.3414 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6621    3.7269    7.3381 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3196    1.1965    5.7394 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1548    0.9311    4.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6079    2.4862    0.1290 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0353    1.6628   -0.4521 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8262    4.4498    0.0941 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8282    1.6836    4.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0079    2.0672    3.8399 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8026    0.3812    4.6195 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7755    0.6987    3.1521 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0754   -0.7546    4.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9450    0.5516    2.3693 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4526    3.1240    8.4077 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 37  1  0  0  0  0
  2  3  1  0  0  0  0
  2 38  1  0  0  0  0
  3  4  2  0  0  0  0
  3 16  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  2  0  0  0  0
  6 39  1  0  0  0  0
  7 40  1  0  0  0  0
  8 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 36  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 41  1  0  0  0  0
 13 34  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 42  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  6  0  0  0
 18 20  1  0  0  0  0
 18 28  1  0  0  0  0
 18 19  1  6  0  0  0
 18 16  1  0  0  0  0
 20 33  1  0  0  0  0
 20 22  1  0  0  0  0
 20 21  1  6  0  0  0
 22 24  1  0  0  0  0
 22 23  1  6  0  0  0
 22 32  1  0  0  0  0
 24 31  1  0  0  0  0
 24 26  1  0  0  0  0
 24 25  1  6  0  0  0
 26 29  1  0  0  0  0
 26 27  1  1  0  0  0
 26 28  1  0  0  0  0
 29 30  1  0  0  0  0
 29 43  1  0  0  0  0
 29 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 35  1  0  0  0  0
 34 49  1  0  0  0  0
 34 50  1  0  0  0  0
 35 51  1  0  0  0  0
 36 52  1  0  0  0  0
M  END
>  <SKU>
A10058

>  <Product Name>
Aloin (Barbaloin)

>  <CAS>
1415-73-2 

>  <M.Wt>
418.39398

>  <Formula>
C21H22O9

>  <Synonyms>
Barbaloin

>  <URL>
https://www.adooq.com/aloin-barbaloin.html

$$$$
