Mol:FLIBALNS0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
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    3.2869   -1.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2393   -1.0365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1053   -1.5365    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 
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  6  1  2  0  0  0  0 
  4  7  1  0  0  0  0 
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 10  5  1  0  0  0  0 
  1 11  1  0  0  0  0 
  7 12  2  0  0  0  0 
  8 13  1  0  0  0  0 
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 16 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 14 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
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   -0.0878   -0.4264 
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    1.6609   -0.7426 
S  SKP  8 
ID	FLIBALNS0004 
KNApSAcK_ID	C00002535 
NAME	Homoferreirin 
CAS_RN	482-01-9 
FORMULA	C17H16O6 
EXACTMASS	316.094688244 
AVERAGEMASS	316.30534 
SMILES	COc(c3)cc(OC)c(c3)C(C1)C(=O)c(c(O)2)c(cc(O)c2)O1 
M  END