-ISIS-  05031710462D

 42 45  0  0  0  0  0  0  0  0999 V2000
   -3.5833  -17.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833  -18.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7917  -19.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958  -18.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958  -17.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7917  -17.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2042  -19.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125  -18.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125  -17.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2042  -17.2542    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    0.3750  -17.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1708  -17.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625  -17.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625  -16.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1708  -15.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750  -16.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500  -15.8833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3708  -17.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7917  -19.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792  -19.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792  -20.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4125  -20.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125  -21.3708    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3792  -21.8292    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1708  -21.3708    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1708  -20.4542    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9625  -21.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792  -22.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625  -20.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2042  -21.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958  -21.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7875  -21.8292    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5833  -21.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3750  -21.8292    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3750  -22.7417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5833  -23.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7875  -22.7417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.1667  -21.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833  -24.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958  -23.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1667  -23.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3167  -16.1083    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
  8 20  1  0  0  0  0
 21 20  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 25 27  1  1  0  0  0
 24 28  1  6  0  0  0
 26 29  1  6  0  0  0
 23 30  1  1  0  0  0
 30 31  1  0  0  0  0
 32 31  1  1  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
 34 38  1  6  0  0  0
 36 39  1  6  0  0  0
 37 40  1  6  0  0  0
 35 41  1  1  0  0  0
M  CHG  2  10   1  42  -1
M  END
>  <Catalog No.>
CFN92133

>  <Name>
Pelargonidin-3-O-rutinosde chloride

>  <CAS Number>
33978-17-5

>  <Purity>
98%

>  <Formula>
C27H31O14Cl

>  <Mol Weight>
615.0

>  <Physical Description>
Powder

>  <Type of Compound>
Flavonoids

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

>  <WebLink>
http://www.chemfaces.com/natural/Pelargonidin-3-O-rutinosde-chloride-CFN92133.html

$$$$