Mol:FLIAAENS0001

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 24  0  0  0  0  0  0  0  0999 V2000 
   -1.9047    0.9582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9047    0.3804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4043    0.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9038    0.3804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9038    0.9582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4043    1.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4034    0.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0971    0.3804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0971    0.9582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4034    1.2472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4034   -0.4858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5972    0.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5972   -0.4443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0613   -0.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5254   -0.4443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5254    0.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0613    0.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3459    1.2129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4043   -0.4861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0613   -1.2472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3914   -0.9443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2574   -1.4443    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 
  8 12  1  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 17  1  0  0  0  0 
 17 12  2  0  0  0  0 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 14 20  1  0  0  0  0 
 15 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  23 
M  SMT   1  OCH3 
M  SVB   1 23    1.6314   -0.6506 
S  SKP  8 
ID	FLIAAENS0001 
KNApSAcK_ID	C00002563 
NAME	Pratensein;5,7,3'-Trihydroxy-4'-methoxyisoflavone 
CAS_RN	2284-31-3 
FORMULA	C16H12O6 
EXACTMASS	300.063388116 
AVERAGEMASS	300.26288 
SMILES	COc(c3)c(O)cc(c3)C(=C2)C(=O)c(c(O)1)c(O2)cc(O)c1 
M  END