Mol:FL5FAAGS0017

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
   -3.6652   -0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6652   -0.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1089   -1.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5526   -0.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5526   -0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1089    0.0572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9963   -1.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4400   -0.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4400   -0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9963    0.0572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9963   -1.7284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8839    0.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3169   -0.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2500    0.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2500    0.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3169    1.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8839    0.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9120   -1.2112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1761    0.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7962    1.0596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8416    1.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4540    0.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1995    1.0926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9494    0.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3372    1.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5917    1.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1217    1.3581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8986    1.8697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8965    1.2281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1089   -1.8697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4616    0.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1761    0.4938    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  8  1  0  0  0  0 
  1 19  1  0  0  0  0 
 21 22  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 21  1  0  0  0  0 
 21 27  1  0  0  0  0 
 26 28  1  0  0  0  0 
 25 29  1  0  0  0  0 
 22 20  1  0  0  0  0 
 20 15  1  0  0  0  0 
  3 30  1  0  0  0  0 
 24 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  34 
M  SMT   1 CH2OH 
M  SBV   1 34   -5.0670    3.3308 
S  SKP  8 
ID	FL5FAAGS0017 
KNApSAcK_ID	C00005152 
NAME	Kaempferol 4'-glucoside 
CAS_RN	52222-74-9 
FORMULA	C21H20O11 
EXACTMASS	448.100561482 
AVERAGEMASS	448.3769 
SMILES	c(c3)(ccc(OC(O4)C(O)C(O)C(O)C4CO)c3)C(=C2O)Oc(c1)c(C2=O)c(cc(O)1)O 
M  END