Mol:FLIA1LNI0001

From Metabolomics.JP
Jump to: navigation, search

FLIA1LNI0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 31  0  0  0  0  0  0  0  0999 V2000 
   -1.1517    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1517    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5954   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0391    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0391    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5954    1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5172   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0735    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0735    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5172    1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6296   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6296   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2243   -1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8191   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8191   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2243    0.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5172   -0.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7086    1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2369    0.7872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7935    1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3206    0.7389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8760    1.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2923    0.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4723   -1.0262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8760   -0.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4723    0.0850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9151   -0.7446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6296   -1.1571    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 
  8 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  7 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21 22  1  0  0  0  0 
 21 23  1  0  0  0  0 
 14 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 15  1  0  0  0  0 
 12 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  27  28 
M  SBL   1  1  30 
M  SMT   1 ^OCH3 
M  SBV   1 30   -5.7808    3.3188 
S  SKP  8 
ID	FLIA1LNI0001 
KNApSAcK_ID	C00009442 
NAME	Maximaisoflavone C 
CAS_RN	10489-51-7 
FORMULA	C22H20O6 
EXACTMASS	380.125988372 
AVERAGEMASS	380.3906 
SMILES	c(O4)(c(OC4)3)cc(c(OC)c3)C(C2=O)=COc(c21)cc(cc1)OCC=C(C)C 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox