-ISIS-  05031710462D

 25 26  0  0  0  0  0  0  0  0999 V2000
    9.1708   -6.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1708   -7.4083    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9833   -7.8792    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8000   -7.4083    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8000   -6.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9833   -5.9958    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4542   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5125   -5.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9833   -4.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3917   -5.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6083   -7.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9833   -8.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3542   -7.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6958   -4.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6958   -3.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8833   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0708   -4.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417   -4.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6250   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6250   -6.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417   -6.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -6.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8125   -6.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8125   -4.7083    0.0000 O   0  0  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
  6  7  1  1  0  0  0
  6  8  1  6  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  4 11  1  1  0  0  0
  3 12  1  6  0  0  0
  2 13  1  6  0  0  0
  8 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 21 24  1  0  0  0  0
 20 25  1  0  0  0  0
M  END
>  <Catalog No.>
CFN99121

>  <Name>
1-Caffeoylquinic acid

>  <CAS Number>
1241-87-8

>  <Purity>
98%

>  <Formula>
C16H18O9

>  <Mol Weight>
354.31

>  <Physical Description>
White powder

>  <Type of Compound>
Phenylpropanoids

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

>  <WebLink>
http://www.chemfaces.com/natural/1-Caffeoylquinic-acid-CFN99121.html

$$$$