Mol:FL3FCFGS0001

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 35 38  0  0  0  0  0  0  0  0999 V2000 
    1.6070    1.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6070    1.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3215    0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0360    1.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0360    1.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3215    2.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8926    0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1781    1.0884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5364    0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5364   -0.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1781   -0.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8926   -0.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2508    1.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9653    0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9653   -0.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2508   -0.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1781   -1.2799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6798    1.0884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2508   -1.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7416    2.3150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7004    0.7048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4149    1.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4442    2.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4093    0.6672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9612   -1.1808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5487   -1.8952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7506   -1.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9573   -1.9129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3698   -1.1984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1679   -1.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3249   -0.8218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8046   -0.5448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4442   -1.6638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9972   -1.6363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9220   -2.3259    0.0000 O   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 
  2  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12  7  2  0  0  0  0 
  9 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 10  1  0  0  0  0 
 14 18  1  0  0  0  0 
 11 17  2  0  0  0  0 
 16 19  1  0  0  0  0 
  5 20  1  0  0  0  0 
  4 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 23 20  1  0  0  0  0 
 18 24  1  0  0  0  0 
 25 26  1  1  0  0  0 
 26 27  1  1  0  0  0 
 28 27  1  1  0  0  0 
 28 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
 30 25  1  0  0  0  0 
 30 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
 25 33  1  0  0  0  0 
 26 34  1  0  0  0  0 
 27 35  1  0  0  0  0 
 28 19  1  0  0  0  0 
S  SKP  8 
ID	FL3FCFGS0001 
KNApSAcK_ID	C00013686 
NAME	Lethedoside A;Luteolin 7,3',4'-trimethyl ether 5-glucoside;2-(3,4-Dimethoxyphenyl)-5-(beta-D-glucopyranosyloxy)-7-methoxy-4H-1-benzopyran-4-one 
CAS_RN	221289-20-9 
FORMULA	C24H26O11 
EXACTMASS	490.147511674 
AVERAGEMASS	490.45664 
SMILES	O(C(C4O)OC(CO)C(O)C4O)c(c12)cc(cc1OC(c(c3)cc(OC)c(c3)OC)=CC2=O)OC 
M  END