Mol:FLIA1LNP0007

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 28  0  0  0  0  0  0  0  0999 V2000 
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    0.4156   -0.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0104   -0.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6052   -0.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6052    0.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0104    0.9430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.0104    1.6291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0104   -1.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6052   -1.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2000   -1.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2000   -0.4306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2000   -1.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9218   -0.9240    0.0000 C   0  0  0  0  0  0  0  0  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 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  8 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 11  2  0  0  0  0 
  1  2  1  0  0  0  0 
  7 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
 16 19  1  0  0  0  0 
 13 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 14  1  0  0  0  0 
 22 24  1  0  0  0  0 
 22 25  1  0  0  0  0 
S  SKP  8 
ID	FLIA1LNP0007 
KNApSAcK_ID	C00009871 
NAME	Puerarone;7,2'-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':4',5']isoflavone 
CAS_RN	116109-15-4 
FORMULA	C20H16O5 
EXACTMASS	336.099773622 
AVERAGEMASS	336.33804000000003 
SMILES	c(O)(c4)ccc(c43)C(C(=CO3)c(c2)c(O)cc(c12)OC(C=C1)(C)C)=O 
M  END