Mol:FL5F1CNS0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
   -2.4197   -0.2074    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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M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  23  24 
M  SBL   3  1  25 
M  SMT   3  OCH3 
M  SVB   3 25    2.0624    1.0956 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  21  22 
M  SBL   2  1  23 
M  SMT   2  OCH3 
M  SVB   2 23     1.212    1.6718 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  19  20 
M  SBL   1  1  21 
M  SMT   1  OCH3 
M  SVB   1 21   -2.7769    0.4113 
S  SKP  8 
ID	FL5F1CNS0005 
KNApSAcK_ID	C00004583 
NAME	Fisetin 7,3',4'-trimethyl ether 
CAS_RN	58544-90-4 
FORMULA	C18H16O6 
EXACTMASS	328.094688244 
AVERAGEMASS	328.31604 
SMILES	O(c23)C(=C(C(c2ccc(OC)c3)=O)O)c(c1)cc(OC)c(OC)c1 
M  END