-ISIS-  05031710462D

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.9750   -6.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9750   -7.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7583   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5417   -7.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5417   -6.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7583   -5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3292   -7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1167   -7.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1167   -6.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3292   -5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1917   -5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -6.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6208   -5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -6.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6208   -4.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1917   -7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8958   -7.5000    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
  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
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  2 16  1  0  0  0  0
  8 17  2  0  0  0  0
M  END
>  <Catalog No.>
CFN96241

>  <Name>
Demethylsuberosin

>  <CAS Number>
21422-04-8

>  <Purity>
98%

>  <Formula>
C14H14O3

>  <Mol Weight>
230.3

>  <Physical Description>
Powder

>  <Type of Compound>
Coumarins

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

>  <WebLink>
http://www.chemfaces.com/natural/Demethylsuberosin-CFN96241.html

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