
 OpenBabel04291915463D

 49 51  0  0  1  0  0  0  0  0999 V2000
    0.9708    0.0918    0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3137    0.0918    0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9852   -1.0247   -0.2987 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3137   -2.1413   -0.6241 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9708   -2.1413   -0.6241 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2993    1.2084    0.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1827    1.2084    0.3520 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.6893    2.5843    0.7530 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1827    3.6194   -0.2381 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.6893    4.9952    0.1628 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1827    6.0304   -0.8282 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.6560    0.2414    1.2779 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3373    6.0304   -0.8282 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8107    6.9974   -1.7541 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1093    4.9952    0.1628 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2373    3.6194   -0.2381 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1093    2.5843    0.7530 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2488   -3.3419   -0.9739 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8626   -4.3626   -1.2713 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1952   -3.3419   -0.9739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8667   -4.4585   -1.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2096   -4.4585   -1.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8811   -3.3419   -0.9739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2096   -2.2253   -0.6486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8667   -2.2253   -0.6486 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0357   -3.3419   -0.9739 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2633   -3.3419   -0.9739 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8841   -1.1037   -0.3217 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.9316   -5.6591   -1.6491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3178   -6.6797   -1.9466 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2806   -5.6591   -1.6491 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3342   -1.0247   -0.2987 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.9708    0.0918    0.0267 Ca  0  2  0  0  0 15  0  0  0  0  0  0
    0.4548   -0.7662   -0.2234 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8297    0.9499    0.2767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5393    0.9686   -0.6278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3327    2.8241    1.7328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5393    3.3795   -1.2180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3327    5.2351    1.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5003    6.9012   -1.3627 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6940    5.0618   -1.1105 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6940    6.2702    0.1516 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4873    6.7800   -2.6424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4327    4.7778   -0.7255 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5607    3.8368    0.6502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4327    2.3668   -0.1354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3507   -5.3165   -1.5493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9131   -3.3419   -0.9739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7491   -6.4381   -1.8762 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 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2 35  1  0  0  0  0
  3 32  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  5 18  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 36  1  0  0  0  0
  8 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  9 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 38  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 39  1  0  0  0  0
 11 13  1  0  0  0  0
 11 12  1  0  0  0  0
 11 40  1  0  0  0  0
 13 14  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 46  1  0  0  0  0
 18 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 47  1  0  0  0  0
 22 29  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 48  1  0  0  0  0
 24 28  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 29 31  1  0  0  0  0
 29 30  2  0  0  0  0
 31 49  1  0  0  0  0
M  CHG  3  28  -1  32  -1  33   2
M  END
>  <SKU>
A15401

>  <Product Name>
Rhein-8-O-beta-D-glucopyranoside

>  <CAS>
113443-70-2

>  <M.Wt>
484.42314

>  <Formula>
C21H16CaO11

>  <Synonyms>
N/A

>  <URL>
https://www.adooq.com/rhein-8-o-beta-d-glucopyranoside.html

$$$$
