Mol:FL5F1AGL0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
   -2.8485    0.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8485   -0.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2922   -0.7359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7359   -0.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7359    0.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2922    0.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1796   -0.7359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6233   -0.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6233    0.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1796    0.5489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1796   -1.2367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0672    0.5487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4997    0.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0667    0.5487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0667    1.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4997    1.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0672    1.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4046    0.5487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0248   -0.9649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0702   -0.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6826   -1.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4280   -0.9319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1780   -1.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5657   -0.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8202   -0.6865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3431   -0.6684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1272   -0.1549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1251   -0.7965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6335    1.5307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6902   -1.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4046   -1.5308    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 
  1 18  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  1  0  0  0 
 22 23  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 20  1  0  0  0  0 
 20 26  1  0  0  0  0 
 25 27  1  0  0  0  0 
 24 28  1  0  0  0  0 
 21 19  1  0  0  0  0 
 19  8  1  0  0  0  0 
 15 29  1  0  0  0  0 
 23 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  33 
M  SMT   1 CH2OH 
M  SBV   1 33   -4.7454    5.7200 
S  SKP  8 
ID	FL5F1AGL0001 
KNApSAcK_ID	C00005127 
NAME	Resokaempferol 3-glucoside 
CAS_RN	- 
FORMULA	C21H20O10 
EXACTMASS	432.10564686 
AVERAGEMASS	432.37749999999994 
SMILES	C(C1OC(C2=O)=C(c(c4)ccc(O)c4)Oc(c3)c(ccc(O)3)2)(O)C(O)C(O)C(O1)CO 
M  END