Mol:FLIAAANF0002

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FLIAAANF0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 29  0  0  0  0  0  0  0  0999 V2000 
   -2.3368    1.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3368    1.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.2242    1.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.1116    1.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6679    2.1251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4445    0.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4445    0.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0393   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6341    0.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6341    0.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0393    1.1839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8929    2.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6679    0.1950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1821   -0.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8651   -0.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1444   -0.3058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2082   -1.5274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8929   -1.5274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8658   -2.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5532   -2.1251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7805    0.1983    0.0000 O   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 
  1 17  1  0  0  0  0 
  7 18  2  0  0  0  0 
 13 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 14  1  0  0  0  0 
 20 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
 22 25  1  0  0  0  0 
  3 26  1  0  0  0  0 
S  SKP  8 
ID	FLIAAANF0002 
KNApSAcK_ID	C00009832 
NAME	Lupinisoflavone C 
CAS_RN	93373-47-8 
FORMULA	C20H18O6 
EXACTMASS	354.110338308 
AVERAGEMASS	354.35332 
SMILES	c(c4)(c(cc(c4)C(C(=O)2)=COc(c3)c2c(cc(O)3)O)1)OC(C1)C(C)(C)O 
M  END
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