Mol:FL5FALNS0013

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
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   -2.4197   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.8634    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.1944    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.3617    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 
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M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  26  27 
M  SBL   4  1  28 
M  SMT   4  OCH3 
M  SVB   4 28   -2.7769      0.77 
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    0.0044   -0.6973 
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    2.0624    1.4543 
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    1.7052    0.2661 
S  SKP  8 
ID	FL5FALNS0013 
KNApSAcK_ID	C00004754 
NAME	Chrysosplenol E 
CAS_RN	23289-81-8 
FORMULA	C19H18O8 
EXACTMASS	374.100167552 
AVERAGEMASS	374.34142 
SMILES	c(OC)(c1)c(OC)cc(c(C(O2)=C(C(c(c(O)3)c2cc(OC)c3)=O)OC)1)O 
M  END