-ISIS-  05031710462D

 22 22  0  0  0  0  0  0  0  0999 V2000
    1.3292  -14.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292  -14.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1083  -15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875  -14.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875  -14.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1083  -13.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667  -13.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4458  -14.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2250  -13.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000  -14.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2250  -12.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542  -15.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1083  -16.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7792  -13.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5583  -14.0500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7792  -12.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5583  -12.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042  -12.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3375  -13.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5583  -14.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7792  -15.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3375  -15.3958    0.0000 O   0  0  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
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  2 12  1  0  0  0  0
  3 13  1  0  0  0  0
 14 10  1  1  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 15 19  1  1  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Catalog No.>
CFN00384

>  <Name>
Caftaric acid

>  <CAS Number>
67879-58-7

>  <Purity>
98%

>  <Formula>
C13H12O9

>  <Mol Weight>
312.2

>  <Physical Description>
Powder

>  <Type of Compound>
Phenylpropanoids

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

>  <WebLink>
http://www.chemfaces.com/natural/Caftaric-acid-CFN00384.html

$$$$