Mol:FL5FALNS0010

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
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   -2.2410   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6847   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.6742    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6742    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1072    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5403    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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  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 
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  8 25  1  0  0  0  0 
 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     0.183   -0.6973 
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   -2.5983      0.77 
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    1.8838    0.2661 
S  SKP  8 
ID	FL5FALNS0010 
KNApSAcK_ID	C00004751 
NAME	Chrysosplenol F 
CAS_RN	135463-10-4 
FORMULA	C18H16O8 
EXACTMASS	360.08451748799996 
AVERAGEMASS	360.31484 
SMILES	c(c(C(O2)=C(C(c(c(O)3)c2cc(OC)c3)=O)OC)1)(O)cc(O)c(OC)c1 
M  END