
 OpenBabel04291915443D

 49 51  0  0  1  0  0  0  0  0999 V2000
    0.9725   -0.0510   -0.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2865   -0.0510   -0.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0275   -0.7331   -1.1687 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0398   -1.3471   -2.1474 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2315    0.6311    1.0057 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1646    0.4932    0.7859 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7808   -2.0292   -3.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0948   -2.0292   -3.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7693   -1.4083   -2.2449 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9014   -1.8272   -0.5774 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8242   -1.2536    0.3369 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6406   -2.2757    0.8894 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6283   -1.6617    1.8680 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8683   -0.9622    2.9831 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8560   -0.3482    3.9618 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0960    0.3514    5.0769 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3506   -2.9293   -0.1524 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2222    1.4455    4.4855 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5122    2.0990    5.5272 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6724   -1.3703    4.5142 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0519    0.0600    2.4307 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4447   -2.6839    2.4205 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0588   -2.6937   -4.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8312   -2.6937   -4.2939 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7333   -3.3146   -5.2835 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0275    0.6311    1.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4236    0.4932    0.7859 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4565   -0.5260   -0.8386 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6427   -0.0232   -1.6810 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3247   -1.7701   -2.8216 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2569    1.1995    1.9118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3154   -0.0161   -0.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6108   -2.5041   -3.9917 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5420   -2.7444   -0.1595 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0254   -2.9857    1.4017 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2435   -0.9518    1.3557 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2531   -1.6721    3.4954 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4712    0.3618    3.4495 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1142    0.4975    6.1367 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5269    1.0133    3.7966 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8373    2.1554    3.9732 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9545    1.4554    5.9917 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1147   -2.0139    4.9787 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6096    0.7035    1.9662 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8870   -3.3274    2.8849 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2648   -3.7458   -5.9709 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7691    0.1892    1.9453 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7691    1.6693    1.0167 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6580   -0.4481    0.7759 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 26  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  3 29  1  0  0  0  0
  4  7  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 32  1  0  0  0  0
  7 23  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 12 35  1  0  0  0  0
 13 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 14 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 37  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 16 18  1  0  0  0  0
 16 17  1  0  0  0  0
 16 39  1  0  0  0  0
 18 19  1  0  0  0  0
 18 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 45  1  0  0  0  0
 23 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 46  1  0  0  0  0
 26 27  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
M  END
>  <SKU>
A14803

>  <Product Name>
Desacetyl asperulosidic acid

>  <CAS>
14259-55-3

>  <M.Wt>
390.33928

>  <Formula>
C16H22O11

>  <Synonyms>
N/A

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

$$$$
