Mol:FL5FFCNS0016

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
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   -2.3202   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7639   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.5950    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0281    1.1663    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 
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  3  4  1  0  0  0  0 
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  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
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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    1.3115    1.7424 
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   -1.4859    0.7574 
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    2.1618    1.1662 
S  SKP  8 
ID	FL5FFCNS0016 
KNApSAcK_ID	C00004736 
NAME	Gossypetin 8,3',4'-trimethyl ether 
CAS_RN	106854-92-6 
FORMULA	C18H16O8 
EXACTMASS	360.08451748799996 
AVERAGEMASS	360.31484 
SMILES	c(c1OC)(O)cc(c(C2=O)c(OC(c(c3)cc(OC)c(OC)c3)=C2O)1)O 
M  END