-ISIS-  10201511232D

 25 26  0  0  0  0  0  0  0  0999 V2000
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    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

$$$$
 
  -ISIS-  10201511232D

 25 26  0  0  0  0  0  0  0  0999 V2000
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  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
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 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
 22 25  1  0  0  0  0
M  END
>  <Catalog No.>
CFN99116

>  <Name>
Chlorogenic acid

>  <CAS Number>
327-97-9

>  <Purity>
98%

>  <Formula>
C16H18O9

>  <Mol Weight>
354.31

>  <Physical Description>
Powder

>  <Type of Compound>
Phenylpropanoids

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

>  <WebLink>
http://www.chemfaces.com/natural/Chlorogenic-acid-CFN99116.html

$$$$
 
  -ISIS-  10201511232D

 26 27  0  0  0  0  0  0  0  0999 V2000
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    3.5208   -2.3042    0.0000 C   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
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 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
 22 25  1  0  0  0  0
 10 26  1  0  0  0  0
M  END
>  <Catalog No.>
CFN92573

>  <Name>
3-O-Caffeoylquinic acid methyl ester

>  <CAS Number>
123483-19-2

>  <Purity>
98%

>  <Formula>
C17H20O9

>  <Mol Weight>
368.3

>  <Physical Description>
Powder

>  <Type of Compound>
Phenylpropanoids

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

>  <WebLink>
http://www.chemfaces.com/natural/3-O-Caffeoylquinic-acid-methyl-ester-CFN92573.html

$$$$
 
  -ISIS-  10201511232D

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  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
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 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
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Catalog No.>
CFN92393

>  <Name>
3-O-Feruloylquinic acid

>  <CAS Number>
1899-29-2

>  <Purity>
98%

>  <Formula>
C17H20O9

>  <Mol Weight>
368.3

>  <Physical Description>
Powder

>  <Type of Compound>
Phenylpropanoids

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

>  <WebLink>
http://www.chemfaces.com/natural/3-O-Feruloylquinic-acid-CFN92393.html

$$$$
 
  -ISIS-  10201511232D

 27 28  0  0  0  0  0  0  0  0999 V2000
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 15 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
 22 25  1  0  0  0  0
 10 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Catalog No.>
CFN92446

>  <Name>
Methyl 3-O-feruloylquinate

>  <CAS Number>
154418-15-2

>  <Purity>
98%

>  <Formula>
C18H22O9

>  <Mol Weight>
382.4

>  <Physical Description>
Powder

>  <Type of Compound>
Phenylpropanoids

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

>  <WebLink>
http://www.chemfaces.com/natural/Methyl-3-O-feruloylquinate-CFN92446.html

$$$$
 
  -ISIS-  10201511232D

 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  2  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
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   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
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    8.3542   -7.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1667  -10.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7250   -7.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9083   -7.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0958   -7.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0958   -8.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9083   -9.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2833   -7.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2833   -9.2833    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  6  0  0  0
  3 12  1  6  0  0  0
  2 13  1  6  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 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
 22 25  1  0  0  0  0
M  END
>  <Catalog No.>
CFN92529

>  <Name>
Cyclohexanecarboxylic acid

>  <CAS Number>
327161-03-5

>  <Purity>
98%

>  <Formula>
C16H18O9

>  <Mol Weight>
354.3

>  <Physical Description>
Powder

>  <Type of Compound>
Phenylpropanoids

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

>  <WebLink>
http://www.chemfaces.com/natural/Cyclohexanecarboxylic-acid-CFN92529.html

$$$$
 
  -ISIS-  10201511232D

 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
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    9.9833   -7.8792    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.8000   -6.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4542   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    8.3542   -7.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3542   -8.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5375   -9.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7250   -8.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7250   -7.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9083   -7.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0958   -7.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0958   -8.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9083   -9.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2833   -7.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2833   -9.2833    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
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 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
 22 25  1  0  0  0  0
M  END
>  <Catalog No.>
CFN99117

>  <Name>
Cryptochlorogenic acid

>  <CAS Number>
905-99-7

>  <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/Cryptochlorogenic-acid-CFN99117.html

$$$$
 
  -ISIS-  10201511232D

 26 27  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
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   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
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    9.1667  -10.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7250   -8.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7250   -7.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9083   -7.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0958   -7.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0958   -8.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9083   -9.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2833   -7.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2833   -9.2833    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
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Catalog No.>
CFN92528

>  <Name>
Methyl 4-caffeoylquinate

>  <CAS Number>
123372-74-7

>  <Purity>
98%

>  <Formula>
C17H20O9

>  <Mol Weight>
368.3

>  <Physical Description>
Powder

>  <Type of Compound>
Phenylpropanoids

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

>  <WebLink>
http://www.chemfaces.com/natural/Methyl-4-caffeoylquinate-CFN92528.html

$$$$
 
  -ISIS-  10201511232D

 26 27  0  0  0  0  0  0  0  0999 V2000
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    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
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   10.4542   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7250   -7.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9083   -7.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0958   -7.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0958   -8.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9083   -9.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2833   -7.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2833   -9.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -8.8125    0.0000 C   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
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 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
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Catalog No.>
CFN92392

>  <Name>
4-O-Feruloylquinic acid

>  <CAS Number>
2613-86-7

>  <Purity>
98%

>  <Formula>
C17H20O9

>  <Mol Weight>
368.3

>  <Physical Description>
Powder

>  <Type of Compound>
Phenylpropanoids

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

>  <WebLink>
http://www.chemfaces.com/natural/4-O-Feruloylquinic-acid-CFN92392.html

$$$$
 
  -ISIS-  10201511232D

 25 26  0  0  0  0  0  0  0  0999 V2000
    6.5500   -5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5500   -6.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0667   -6.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5875   -6.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5875   -5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667   -5.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3667   -4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -4.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0292   -6.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5125   -6.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9958   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5125   -5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750   -6.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9583   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375   -6.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9208   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9208   -7.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375   -7.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9583   -7.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -7.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -6.2000    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
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 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.>
CFN97472

>  <Name>
Neochlorogenic acid

>  <CAS Number>
906-33-2

>  <Purity>
98%

>  <Formula>
C16H18O9

>  <Mol Weight>
354.3 

>  <Physical Description>
Powder

>  <Type of Compound>
Phenylpropanoids

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

>  <WebLink>
http://www.chemfaces.com/natural/Neochlorogenic-acid-CFN97472.html

$$$$
 
  -ISIS-  10201511232D

 27 28  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
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    8.3542   -7.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4792   -7.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792   -8.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917   -9.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1083   -8.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625   -9.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625   -7.4083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -7.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8625   -4.3667    0.0000 C   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
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 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
 25 26  1  0  0  0  0
 10 27  1  0  0  0  0
M  END
>  <Catalog No.>
CFN92445

>  <Name>
Methyl 5-O-feruloylquinate

>  <CAS Number>
154461-64-0

>  <Purity>
98%

>  <Formula>
C18H22O9

>  <Mol Weight>
382.4

>  <Physical Description>
Powder

>  <Type of Compound>
Phenylpropanoids

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

>  <WebLink>
http://www.chemfaces.com/natural/Methyl-5-O-feruloylquinate-CFN92445.html

$$$$
 
  -ISIS-  10201511232D

 37 39  0  0  0  0  0  0  0  0999 V2000
    2.9250   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -6.1958    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7375   -6.6667    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5542   -6.1958    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5542   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375   -4.7833    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3625   -6.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375   -7.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1083   -6.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -3.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2083   -3.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -3.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375   -3.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3000   -8.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3250   -6.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375   -6.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375   -7.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   -8.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500   -6.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500   -8.0708    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
  4  7  1  1  0  0  0
  3  8  1  6  0  0  0
  2  9  1  6  0  0  0
  6 10  1  1  0  0  0
  6 11  1  6  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 14 17  2  0  0  0  0
 16 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
  8 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 33 36  1  0  0  0  0
 34 37  1  0  0  0  0
M  END
>  <Catalog No.>
CFN99122

>  <Name>
1,4-Dicaffeoylquinic acid 

>  <CAS Number>
1182-34-9

>  <Purity>
98%

>  <Formula>
C25H24O12

>  <Mol Weight>
516.46

>  <Physical Description>
White powder

>  <Type of Compound>
Phenylpropanoids

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

>  <WebLink>
http://www.chemfaces.com/natural/1-3-Dicaffeoylquinic-acid--CFN99122.html

$$$$
 
  -ISIS-  10201511232D

 37 39  0  0  0  0  0  0  0  0999 V2000
    2.9250   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -6.1958    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7375   -6.6667    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5542   -6.1958    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5542   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375   -4.7833    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3625   -6.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375   -7.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1083   -6.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -3.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2083   -3.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -3.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375   -3.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2958   -6.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7792   -3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2583   -3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6792   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7708   -1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1083   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3417   -1.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8250   -2.9500    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
  4  7  1  1  0  0  0
  3  8  1  6  0  0  0
  2  9  1  6  0  0  0
  6 10  1  1  0  0  0
  6 11  1  6  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 14 17  2  0  0  0  0
 16 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
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 11 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 26 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 33 36  1  0  0  0  0
 32 37  1  0  0  0  0
M  END
>  <Catalog No.>
CFN99123

>  <Name>
1,5-Dicaffeoylquinic acid

>  <CAS Number>
30964-13-7

>  <Purity>
98%

>  <Formula>
C25H24O12

>  <Mol Weight>
516.45

>  <Physical Description>
White powder

>  <Type of Compound>
Phenolic Acids

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

>  <WebLink>
http://www.chemfaces.com/natural/1-5-Dicaffeoylquinic-acid-CFN99123.html

$$$$
 
  -ISIS-  10201511232D

 37 39  0  0  0  0  0  0  0  0999 V2000
    2.9250   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -6.1958    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7375   -6.6667    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5542   -6.1958    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5542   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375   -4.7833    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3625   -6.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375   -7.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1083   -6.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -3.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2083   -3.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6167   -6.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167   -7.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292   -8.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2417   -7.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2417   -6.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292   -6.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0542   -8.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292   -9.0167    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
  4  7  1  1  0  0  0
  3  8  1  6  0  0  0
  2  9  1  6  0  0  0
  6 10  1  1  0  0  0
  6 11  1  6  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 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
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
  7 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 33 36  1  0  0  0  0
 32 37  1  0  0  0  0
M  END
>  <Catalog No.>
CFN99119

>  <Name>
Isochlorogenic acid B

>  <CAS Number>
14534-61-3

>  <Purity>
98%

>  <Formula>
C25H24O12

>  <Mol Weight>
516.45

>  <Physical Description>
White powder

>  <Type of Compound>
Phenylpropanoids

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

>  <WebLink>
http://www.chemfaces.com/natural/Isochlorogenic-acid-B-CFN99119.html

$$$$
 
  -ISIS-  10201511232D

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    3.7375   -6.6667    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5542   -6.1958    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5542   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375   -4.7833    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.7375   -7.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1083   -6.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -3.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1417   -7.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9542   -9.0167    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
  4  7  1  1  0  0  0
  3  8  1  6  0  0  0
  2  9  1  6  0  0  0
  6 10  1  1  0  0  0
  6 11  1  6  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
  7 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 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
  9 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 33 36  1  0  0  0  0
 34 37  1  0  0  0  0
M  END
>  <Catalog No.>
CFN99118

>  <Name>
Isochlorogenic acid A

>  <CAS Number>
2450-53-5

>  <Purity>
98%

>  <Formula>
C25H24O12

>  <Mol Weight>
516.45

>  <Physical Description>
White powder

>  <Type of Compound>
Phenylpropanoids

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

>  <WebLink>
http://www.chemfaces.com/natural/Isochlorogenic-acid-A-CFN99118.html

$$$$
 
  -ISIS-  10201511232D

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    5.3625   -6.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375   -7.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1083   -6.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -3.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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
  4  7  1  1  0  0  0
  3  8  1  6  0  0  0
  2  9  1  6  0  0  0
  6 10  1  1  0  0  0
  6 11  1  6  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 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
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
  9 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 33 36  1  0  0  0  0
 34 37  1  0  0  0  0
M  END
>  <Catalog No.>
CFN99120

>  <Name>
Isochlorogenic acid C

>  <CAS Number>
32451-88-0

>  <Purity>
98%

>  <Formula>
C25H24O12

>  <Mol Weight>
516.45

>  <Physical Description>
White powder

>  <Type of Compound>
Phenylpropanoids

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

>  <WebLink>
http://www.chemfaces.com/natural/Isochlorogenic-acid-C-CFN99120.html

$$$$
 
  -ISIS-  10201511232D

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  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
  4  7  1  1  0  0  0
  3  8  1  6  0  0  0
  2  9  1  6  0  0  0
  6 10  1  1  0  0  0
  6 11  1  6  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 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
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
  7 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 33 36  1  0  0  0  0
 32 37  1  0  0  0  0
  9 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 39 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 42  1  0  0  0  0
 45 48  1  0  0  0  0
 46 49  1  0  0  0  0
M  END
>  <Catalog No.>
CFN90238

>  <Name>
3,4,5-Tricaffeoylquinic acid

>  <CAS Number>
86632-03-3

>  <Purity>
98%

>  <Formula>
C34H30O15

>  <Mol Weight>
678.59

>  <Physical Description>
Powder

>  <Type of Compound>
Phenylpropanoids

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

>  <WebLink>
http://www.chemfaces.com/natural/3-4-5-Tricaffeoylquinic-acid-CFN90238.html

$$$$
 
  -ISIS-  10201511232D

 34 35  0  0  0  0  0  0  0  0999 V2000
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    6.8958   -6.3958    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3750   -6.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6583   -6.8333    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4208   -6.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0917   -5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3292   -6.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917   -6.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0917   -7.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9833   -6.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4625   -5.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  1  8  2  0  0  0  0
  2  9  1  1  0  0  0
  4 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 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 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 15 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 15  1  0  0  0  0
 28 31  1  0  0  0  0
 29 32  1  0  0  0  0
 23 33  1  0  0  0  0
 24 34  1  0  0  0  0
M  END
>  <Catalog No.>
CFN99725

>  <Name>
Chicoric acid

>  <CAS Number>
70831-56-0

>  <Purity>
98%

>  <Formula>
C22H18O12

>  <Mol Weight>
474.37

>  <Physical Description>
White powder

>  <Type of Compound>
Phenylpropanoids

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

>  <WebLink>
http://www.chemfaces.com/natural/Cichoric-Acid-CFN99725.html

$$$$
 
  -ISIS-  10201511232D

 24 25  0  0  0  0  0  0  0  0999 V2000
    3.0875   -3.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875   -4.1750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8750   -4.6292    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6625   -4.1750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6625   -3.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8750   -2.8083    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4208   -2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -2.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4500   -4.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8750   -1.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2375   -4.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2375   -3.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6000   -5.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6000   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8125   -4.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3875   -4.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3875   -5.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8125   -6.9000    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  6  0  0  0
  6  8  1  1  0  0  0
  4  9  1  1  0  0  0
  3 10  1  1  0  0  0
  2 11  1  6  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 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 15  1  0  0  0  0
 20 22  1  0  0  0  0
 19 23  1  0  0  0  0
 18 24  1  0  0  0  0
M  END
>  <Catalog No.>
CFN92078

>  <Name>
5-Galloylquinic acid

>  <CAS Number>
53584-43-3

>  <Purity>
98%

>  <Formula>
C14H16O10

>  <Mol Weight>
344.3

>  <Physical Description>
Powder

>  <Type of Compound>
Phenols

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

>  <WebLink>
http://www.chemfaces.com/natural/5-Galloylquinic-acid-CFN92078.html

$$$$
 
  -ISIS-  10201511232D

 24 25  0  0  0  0  0  0  0  0999 V2000
    3.0875   -3.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875   -4.1750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8750   -4.6292    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6625   -4.1750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6625   -3.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8750   -2.8083    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4208   -2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4500   -8.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2375   -7.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2375   -6.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0250   -8.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4500   -9.1750    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  6  0  0  0
  6  8  1  1  0  0  0
  4  9  1  1  0  0  0
  3 10  1  1  0  0  0
  2 11  1  6  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
 10 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 16  1  0  0  0  0
 20 22  1  0  0  0  0
 19 23  1  0  0  0  0
 18 24  1  0  0  0  0
M  END
>  <Catalog No.>
CFN92830

>  <Name>
4-Galloylquinic acid

>  <CAS Number>
110170-37-1

>  <Purity>
98%

>  <Formula>
C14H16O10

>  <Mol Weight>
344.3

>  <Physical Description>
Powder

>  <Type of Compound>
Phenols

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

>  <WebLink>
http://www.chemfaces.com/natural/4-Galloylquinic-acid-CFN92830.html

$$$$
 
  -ISIS-  10201511232D

 24 25  0  0  0  0  0  0  0  0999 V2000
    3.0875   -3.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875   -4.1750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8750   -4.6292    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.6625   -3.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8750   -2.8083    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4208   -2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -2.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7250   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -4.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -5.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -5.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250   -5.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0625   -6.9000    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  6  0  0  0
  6  8  1  1  0  0  0
  4  9  1  1  0  0  0
  3 10  1  1  0  0  0
  2 11  1  6  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
 11 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 16  1  0  0  0  0
 19 22  1  0  0  0  0
 18 23  1  0  0  0  0
 20 24  1  0  0  0  0
M  END
>  <Catalog No.>
CFN92829

>  <Name>
3-Galloylquinic acid

>  <CAS Number>
17365-11-6

>  <Purity>
98%

>  <Formula>
C14H16O10

>  <Mol Weight>
344.3

>  <Physical Description>
Powder

>  <Type of Compound>
Phenols

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

>  <WebLink>
http://www.chemfaces.com/natural/3-Galloylquinic-acid-CFN92829.html

$$$$