Mol:FL5FECNS0001

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FL5FECNS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
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   -2.4749   -0.7481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    3.4538   -0.0928    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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  7  8  1  0  0  0  0 
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 25 26  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  25  26 
M  SBL   3  1  27 
M  SMT   3  OCH3 
M  SVB   3 27    1.7605     0.201 
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    0.1699   -0.6656 
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    -2.332    0.7372 
S  SKP  8 
ID	FL5FECNS0001 
KNApSAcK_ID	C00001031 
NAME	Chrysosplenol C 
CAS_RN	23370-16-3 
FORMULA	C18H16O8 
EXACTMASS	360.08451748799996 
AVERAGEMASS	360.31484 
SMILES	c(c3O)(OC)cc(O1)c(c3O)C(C(=C1c(c2)cc(OC)c(O)c2)OC)=O 
M  END
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