Mol:FL5FGGNS0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 32  0  0  0  0  0  0  0  0999 V2000 
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   -0.3262   -2.6305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3262   -1.9881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  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 
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M  STY  1   5 SUP 
M  SLB  1   5   5 
M  SAL   5  2  29  30 
M  SBL   5  1  31 
M  SMT   5  OCH3 
M  SVB   5 31   -1.4067    0.7182 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  27  28 
M  SBL   4  1  29 
M  SMT   4  OCH3 
M  SVB   4 29   -2.9555   -0.7269 
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   -2.5983    0.4428 
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     0.183   -1.0246 
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     2.241     1.127 
S  SKP  8 
ID	FL5FGGNS0005 
KNApSAcK_ID	C00004862 
NAME	5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone 
CAS_RN	78516-77-5 
FORMULA	C20H20O10 
EXACTMASS	420.10564686 
AVERAGEMASS	420.3668 
SMILES	O(C)c(c31)c(c(c(c1C(C(OC)=C(O3)c(c2)cc(O)c(c(O)2)OC)=O)O)OC)OC 
M  END