Mol:FL3FF8NS0006

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FL3FF8NS0006.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
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    1.0023    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5693   -0.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1362    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1362    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5693    1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0023    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2227   -1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5693    1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6451    1.4185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1451    2.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1362    0.4428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6361    1.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9447    0.7182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5082    1.6179    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 
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  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
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 22 23  1  0  0  0  0 
  6 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  24  25 
M  SBL   3  1  26 
M  SMT   3  OCH3 
M  SVB   3 26   -0.9447    0.7182 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  22  23 
M  SBL   2  1  24 
M  SMT   2  OCH3 
M  SVB   2 24   -2.1362    0.4428 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  20  21 
M  SBL   1  1  22 
M  SMT   1  OCH3 
M  SVB   1 22    0.6451    1.4185 
S  SKP  8 
ID	FL3FF8NS0006 
KNApSAcK_ID	C00003899 
NAME	Wightin 
CAS_RN	4825-18-7 
FORMULA	C18H16O7 
EXACTMASS	344.089602866 
AVERAGEMASS	344.31543999999997 
SMILES	c(c1OC)(OC)cc(c(C(=O)2)c(OC(c(c(OC)3)cccc3O)=C2)1)O 
M  END
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