Mol:FL4DE8NS0001

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FL4DE8NS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
   -1.7630   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0504    0.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.0985   -0.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0949   -0.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3786    0.2428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7486    0.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4647   -0.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1776    0.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1744    1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4583    1.4546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7455    1.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3870   -2.0504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0430   -2.1216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3808    0.1775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6763   -1.3251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4583    2.1216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4647   -0.8656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4397   -1.3967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1776   -0.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  1  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  2  1  0  0  0  0 
  5  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  6  1  0  0  0  0 
  9 11  1  6  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  7 17  2  0  0  0  0 
  4 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
  8 20  1  1  0  0  0 
 15 21  1  0  0  0  0 
 12 22  1  0  0  0  0 
  3 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
S  SKP  8 
ID	FL4DE8NS0001 
KNApSAcK_ID	C00014370 
NAME	Diosalol;(2R,3R)-3,5,7,2',5'-Pentahydroxy-6-methoxyflavanone 
CAS_RN	253786-85-5 
FORMULA	C16H14O8 
EXACTMASS	334.068867424 
AVERAGEMASS	334.27756 
SMILES	COc(c(O)3)c(O)c(C(=O)2)c(c3)OC(C(O)2)c(c1)c(O)ccc(O)1 
M  END
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