Mol:FL3FEANS0011

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FL3FEANS0011.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
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   -0.3903   -0.1701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1660    0.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1660    0.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.8561    1.7692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2891    2.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7221    1.7692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5029   -0.8123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0590   -1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0590   -1.7754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6151   -2.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4164    1.4122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.7737    1.4977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7737    1.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7470    0.3652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1148   -0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  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 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 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 
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  3 18  1  0  0  0  0 
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  1 22  1  0  0  0  0 
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 15 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
  2 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  26  27 
M  SBL   3  1  28 
M  SMT   3  OCH3 
M  SVB   3 28   -2.7737    0.2425 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  24  25 
M  SBL   2  1  26 
M  SMT   2  OCH3 
M  SVB   2 26    2.7737    1.4977 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  22  23 
M  SBL   1  1  24 
M  SMT   1  OCH3 
M  SVB   1 24   -2.4164    1.4122 
S  SKP  8 
ID	FL3FEANS0011 
KNApSAcK_ID	C00004022 
NAME	5-Allyloxysalvigenin 
CAS_RN	87200-85-9 
FORMULA	C21H20O6 
EXACTMASS	368.125988372 
AVERAGEMASS	368.37989999999996 
SMILES	COc(c3OC)cc(c2c(OCC=C)3)OC(=CC2=O)c(c1)ccc(OC)c1 
M  END
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