Mol:FL5FAINS0001

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FL5FAINS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -2.1416   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1416   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5853   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0290   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.0836   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4727    0.1844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4727   -1.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6397    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2067   -0.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7737    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7737    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2067    1.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6397    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6397   -1.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6977    0.1843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5853   -1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7737    0.8390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6397   -0.3157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5058   -0.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4901    1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9315    2.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  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 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  8 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
 15 21  1  0  0  0  0 
 14 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 16 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  24  25 
M  SBL   2  1  26 
M  SMT   2  OCH3 
M  SVB   2 26    1.4901    1.7424 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  22  23 
M  SBL   1  1  24 
M  SMT   1  OCH3 
M  SVB   1 24    1.9832    -0.022 
S  SKP  8 
ID	FL5FAINS0001 
KNApSAcK_ID	C00004767 
NAME	Syringetin 
CAS_RN	4423-37-4 
FORMULA	C17H14O8 
EXACTMASS	346.068867424 
AVERAGEMASS	346.28826 
SMILES	COc(c1)c(O)c(OC)cc1C(O2)=C(O)C(=O)c(c(O)3)c(cc(O)c3)2 
M  END
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