-ISIS-  05031710462D

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    3.8667   -6.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917   -6.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917   -7.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8667   -5.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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
  1  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  2  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
  7 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 10 19  1  0  0  0  0
  3 20  2  0  0  0  0
  4 21  2  0  0  0  0
 21 22  1  0  0  0  0
  5 23  1  6  0  0  0
 22 24  1  0  0  0  0
 24 23  1  0  0  0  0
 24 25  2  0  0  0  0
  5 26  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 23 30  1  0  0  0  0
 30 27  1  0  0  0  0
 23 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 39  1  0  0  0  0
 22 34  1  1  0  0  0
 34 26  1  0  0  0  0
 33 35  1  0  0  0  0
 12 36  1  0  0  0  0
 36 11  1  0  0  0  0
 36 37  1  1  0  0  0
 36 38  1  6  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
G   39 33
COOH
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  39  40  41
M  SBL   1  1  35
M  SMT   1 COOH
M  SBV   1  35    0.0000   -0.8900
M  END
>  <Catalog No.>
CFN92094

>  <Name>
Isomorellic acid

>  <CAS Number>
5262-69-1

>  <Purity>
98%

>  <Formula>
C33H36O8

>  <Mol Weight>
560.7

>  <Physical Description>
Powder

>  <Type of Compound>
Miscellaneous

>  <Solvent>
Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc.

>  <WebLink>
http://www.chemfaces.com/natural/Isomorellic-acid-CFN92094.html

$$$$