Mol:FL5FAAGA0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
   -2.0934    1.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0934    0.3738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5371    0.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9808    0.3738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9808    1.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5371    1.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4245    0.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1318    0.3738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1318    1.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4245    1.3373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4245   -0.4483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6879    1.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2549    1.0098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8219    1.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8219    1.9919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2549    2.3192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6879    1.9919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5371   -0.5895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6495    1.3372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3887    2.3191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1910   -1.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8192   -1.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6199   -1.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8192   -0.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1910   -0.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3903   -0.7165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5638   -0.0190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8192    0.0709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0818   -1.3502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6495   -1.5585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2751   -2.3192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4782   -2.1057    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 
  3 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
 22 21  1  1  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  1  0  0  0 
 26 21  1  1  0  0  0 
 25 27  1  0  0  0  0 
 24 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
 22 30  1  0  0  0  0 
  8 27  1  0  0  0  0 
 21 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   -5.1195    3.0439 
S  SKP  8 
ID	FL5FAAGA0001 
KNApSAcK_ID	C00005136 
NAME	Kaempferol 3-alpha-D-galactoside 
CAS_RN	107163-34-8 
FORMULA	C21H20O11 
EXACTMASS	448.100561482 
AVERAGEMASS	448.3769 
SMILES	O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)ccc(O)c2)C(C(O)1)OC(CO)C(O)C1O 
M  END