-ISIS-  05031710462D

 42 36  0  0  0  0  0  0  0  0999 V2000
    5.4333   -6.5250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4333   -7.4625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2458   -7.9333    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0583   -7.4625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0583   -6.5250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2458   -6.0542    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2458   -8.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8708   -6.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2458   -5.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6208   -6.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6208   -7.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8708   -7.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6875   -5.5833    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    9.1542   -6.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -4.7708    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.5000   -5.1167    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.2458   -4.1750    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    7.1833   -4.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -4.1750    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.2458   -3.2375    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.8042   -5.5833    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    4.2750   -4.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375   -6.4000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9917   -5.1167    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.8042   -8.4042    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.3375   -7.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2750   -9.2167    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9917   -8.8708    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.2458   -9.8125    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    5.3042   -9.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1833   -9.8125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.2458  -10.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.6875   -8.4042    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    9.1542   -7.5875    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.5000   -8.8708    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.2167   -9.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0375  -10.8667    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    2.9125   -9.8708    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    1.8792   -5.9625    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    4.6917   -3.2458    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    8.8792   -4.2458    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    9.9750   -8.0250    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  1  0  0  0
  5  8  1  1  0  0  0
  6  9  1  1  0  0  0
  1 10  1  1  0  0  0
  2 11  1  6  0  0  0
  4 12  1  6  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
  9 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 10 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 11 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
  7 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 12 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  2  0  0  0  0
M  CHG  8  15  -1  16  -1  19  -1  20  -1  23  -1  24  -1  27  -1  28  -1
M  CHG  8  31  -1  32  -1  34  -1  35  -1  37   2  38   2  39   2  40   2
M  CHG  2  41   2  42   2
M  END
>  <Catalog No.>
CFN99795

>  <Name>
Phytin

>  <CAS Number>
3615-82-5

>  <Purity>
98%

>  <Formula>
C6H6Ca6O24P6

>  <Mol Weight>
888.42

>  <Physical Description>
Powder

>  <Type of Compound>
Miscellaneous

>  <Solvent>
Pyridine, Methanol, Ethanol, etc.

>  <WebLink>
http://www.chemfaces.com/natural/Phytin-CFN99795.html

$$$$