Mol:FL5FAAGL0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
   -2.8642    0.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8642   -0.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3079   -0.7356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7516   -0.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7516    0.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3079    0.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1953   -0.7356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6390   -0.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6390    0.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1953    0.5491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1953   -1.2365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0829    0.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4841    0.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0511    0.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0511    1.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4841    1.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0829    1.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4203    0.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3079   -1.3778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0091   -0.9647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0546   -0.4733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6669   -1.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4124   -0.9317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1623   -1.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5501   -0.4733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8046   -0.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3275   -0.6682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0691   -0.2281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4203   -0.5751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6179    1.5309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6729   -1.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3873   -1.5310    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 
  3 19  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  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  8  1  0  0  0  0 
 24 23  1  1  0  0  0 
 15 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   -4.7627    5.7198 
S  SKP  8 
ID	FL5FAAGL0001 
KNApSAcK_ID	C00005138 
NAME	Astragalin;Kaempferol 3-O-beta-D-glucoside;Kaempferol 3-glucoside 
CAS_RN	480-10-4 
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