Mol:FL3FACGS0054

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 38 41  0  0  0  0  0  0  0  0999 V2000 
    0.1848    0.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1848   -0.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6358   -0.2698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0869   -0.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0869    0.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6358    0.7718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5379   -0.2698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9890   -0.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9890    0.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5379    0.7718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5379   -0.6759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4399    0.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8996    0.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3594    0.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3594    1.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8996    1.5680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4399    1.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3347    0.8113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6358   -0.7896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9537    1.6457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8996    2.0988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9330   -0.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4173   -1.6733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6748   -1.3846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0416   -1.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4790   -0.8561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2375   -1.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5095   -1.3255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2211   -1.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2494   -2.0988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5881   -0.6541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5881   -0.1177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2605    0.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8179   -0.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3733    0.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9537   -0.0659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3733    0.8103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2605    0.8546    0.0000 O   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 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
 18  1  1  0  0  0  0 
  3 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
 16 21  1  0  0  0  0 
 22 23  1  1  0  0  0 
 23 24  1  1  0  0  0 
 25 24  1  1  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 22  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
 24 30  1  0  0  0  0 
 27 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
 34 35  1  0  0  0  0 
 35 36  2  0  0  0  0 
 35 37  1  0  0  0  0 
 33 38  2  0  0  0  0 
 25 19  1  0  0  0  0 
S  SKP  8 
ID	FL3FACGS0054 
KNApSAcK_ID	C00004314 
NAME	Luteolin 5-(6''-malonylglucoside) 
CAS_RN	130733-27-6 
FORMULA	C24H22O14 
EXACTMASS	534.100955412 
AVERAGEMASS	534.42308 
SMILES	O=C(CC(O)=O)OCC(C(O)4)OC(C(C(O)4)O)Oc(c12)cc(cc1OC(c(c3)cc(c(c3)O)O)=CC2=O)O 
M  END