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 27 29  0  0  0  0  0  0  0  0999 V2000
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    7.5875   -5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3833   -6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1833   -5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1833   -4.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3833   -4.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9833   -6.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7792   -5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7792   -4.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9833   -4.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7875   -4.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9875   -4.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9875   -6.7500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1917   -6.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917   -6.7500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3917   -7.6750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    5.9875   -7.6750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1917   -9.0583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -8.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -8.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  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  1  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
  8 11  2  0  0  0  0
 12  2  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
 15 12  1  1  0  0  0
 19 21  1  1  0  0  0
 17 22  1  1  0  0  0
 20 23  1  6  0  0  0
 18 24  1  6  0  0  0
 22 25  1  0  0  0  0
  3 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Catalog No.>
CFN98764

>  <Name>
Calycanthoside

>  <CAS Number>
483-91-0

>  <Purity>
98%

>  <Formula>
C17H20O10

>  <Mol Weight>
384.3 

>  <Physical Description>
Powder

>  <Type of Compound>
Coumarins

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

>  <WebLink>
http://www.chemfaces.com/natural/Calycanthoside-CFN98764.html

$$$$