Mol:FL5FFAGA0001

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FL5FFAGA0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
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    2.5926   -1.9727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  8  9  2  0  0  0  0 
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  1 18  1  0  0  0  0 
  8 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
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 33 34  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  33  34 
M  SBL   2  1  36 
M  SMT   2  CH2OH 
M  SVB   2 36    2.2924   -1.0177 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  34 
M  SMT   1  OCH3 
M  SVB   1 34   -1.6164    1.0007 
S  SKP  8 
ID	FL5FFAGA0001 
KNApSAcK_ID	C00005355 
NAME	Sexangularetin 3-galactoside 
CAS_RN	94035-83-3 
FORMULA	C22H22O12 
EXACTMASS	478.111126168 
AVERAGEMASS	478.40288000000004 
SMILES	O(C(=C3c(c4)ccc(c4)O)C(=O)c(c(O3)2)c(O)cc(c2OC)O)[C@H](O1)C(O)C([C@H]([C@@H](CO)1)O)O 
M  END
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