Mol:FL3FAINI0001

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FL3FAINI0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 31  0  0  0  0  0  0  0  0999 V2000 
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    1.4901    1.5582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2046    1.1457    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 
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  8  9  2  0  0  0  0 
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 26 27  1  0  0  0  0 
 16 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  28  29 
M  SBL   2  1  30 
M  SMT   2  OCH3 
M  SVB   2 30    1.4901    1.5582 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  26  27 
M  SBL   1  1  28 
M  SMT   1  OCH3 
M  SVB   1 28    1.9832   -0.2063 
S  SKP  8 
ID	FL3FAINI0001 
KNApSAcK_ID	C00004040 
NAME	Baohuosu 
CAS_RN	119730-90-4 
FORMULA	C22H22O7 
EXACTMASS	398.136553058 
AVERAGEMASS	398.40588 
SMILES	c(c3)(cc(c(c(OC)3)O)OC)C(=C2)Oc(c(C(=O)2)1)c(CC=C(C)C)c(cc1O)O 
M  END
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