Mol:FL5FDANI0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
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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   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  26  27 
M  SBL   1  1  28 
M  SMT   1  OCH3 
M  SVB   1 28    1.3049   -0.6761 
S  SKP  8 
ID	FL5FDANI0002 
KNApSAcK_ID	C00004996 
NAME	Topazolin;5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one 
CAS_RN	109605-79-0 
FORMULA	C21H20O6 
EXACTMASS	368.125988372 
AVERAGEMASS	368.37989999999996 
SMILES	O(C(c(c3)ccc(O)c3)=2)c(c1C(C2OC)=O)cc(c(CC=C(C)C)c1O)O 
M  END