Mol:FL2FALNS0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
   -2.2817   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7608   -0.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2399   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2399   -0.0166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7608    0.2842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2817   -0.0166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7190   -0.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1981   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1981   -0.0166    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.7190    0.2842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3222    0.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7190   -1.4427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8566   -0.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3910    0.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3910    0.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8566    1.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3222    0.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7608   -1.5196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9244    1.2089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6389    0.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6389    0.6022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1388    1.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4089   -0.1786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1233   -0.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0350    1.5196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5350    2.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  3  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  4  1  0  0  0  0 
  9 11  1  0  0  0  0 
  7 12  2  0  0  0  0 
 11 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 17  2  0  0  0  0 
 17 11  1  0  0  0  0 
  2 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
  6 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 13 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 17 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  25  26 
M  SBL   4  1  27 
M  SMT   4  OCH3 
M  SVB   4 27    -0.035    1.5196 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  23  24 
M  SBL   3  1  25 
M  SMT   3  OCH3 
M  SVB   3 25    0.4089   -0.1786 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  21  22 
M  SBL   2  1  23 
M  SMT   2  OCH3 
M  SVB   2 23   -2.6389    0.6022 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  19  20 
M  SBL   1  1  21 
M  SMT   1  OCH3 
M  SVB   1 21    1.9244    1.2089 
S  SKP  8 
ID	FL2FALNS0005 
KNApSAcK_ID	C00008535 
NAME	Heteroflavanone A 
CAS_RN	151171-28-7 
FORMULA	C19H20O7 
EXACTMASS	360.120902994 
AVERAGEMASS	360.3579 
SMILES	c(c21)(O)cc(OC)cc(OC(c(c(OC)3)c(OC)cc(OC)c3)CC2=O)1 
M  END