Mol:FL5FABGA0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
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   -0.2522   -2.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.4616    0.6082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    3.2143   -1.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3443   -2.5049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
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  9 10  1  0  0  0  0 
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  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
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 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
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 22 23  1  1  0  0  0 
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 24 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  32  33 
M  SBL   2  1  35 
M  SMT   2  CH2OH 
M  SVB   2 35    3.2143   -1.5134 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  33 
M  SMT   1  OCH3 
M  SVB   1 33    1.8239    1.5133 
S  SKP  8 
ID	FL5FABGA0001 
KNApSAcK_ID	C00005286 
NAME	Kaempferide 3-galactoside 
CAS_RN	78386-03-5 
FORMULA	C22H22O11 
EXACTMASS	462.116211546 
AVERAGEMASS	462.40348000000006 
SMILES	O(C)c(c4)ccc(c4)C(O2)=C(C(=O)c(c3O)c2cc(c3)O)O[C@H](O1)C(O)C([C@H]([C@@H](CO)1)O)O 
M  END