Mol:FL2FQUNS0001

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FL2FQUNS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
   -2.4197   -0.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4197   -0.7162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8634   -1.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.1944   -0.0738    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.7507    0.2473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3617    0.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9286   -0.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4956    0.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4956    0.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9286    1.2293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3617    0.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7507   -1.5812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8634   -1.6795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9286   -0.6101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9286    1.6795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0624    1.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7769    0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7769    0.5449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2769    1.4109    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  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  1  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  1  0  0  0  0 
 16 11  2  0  0  0  0 
  7 17  2  0  0  0  0 
  3 18  1  0  0  0  0 
 12 19  2  0  0  0  0 
 15 20  2  0  0  0  0 
 14 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  1 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  25 
M  SMT   2  OCH3 
M  SVB   2 25   -2.7769    0.5449 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  23 
M  SMT   1  OCH3 
M  SVB   1 23    2.0624    1.2292 
S  SKP  8 
ID	FL2FQUNS0001 
KNApSAcK_ID	C00008365 
NAME	Remerin 
CAS_RN	41093-65-6 
FORMULA	C17H14O7 
EXACTMASS	330.073952802 
AVERAGEMASS	330.28886 
SMILES	COc(c3)cc(O1)c(c(O)3)C(=O)CC1c(c2)c(=O)cc(OC)c(=O)2 
M  END
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