Mol:FL5FAAGL0061

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 35 38  0  0  0  0  0  0  0  0999 V2000 
   -3.0802    0.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0802    0.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5239   -0.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9676    0.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9676    0.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5239    1.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4113   -0.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8550    0.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8550    0.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4113    1.2732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4113   -0.5123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2989    1.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2680    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8350    1.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8350    1.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2680    2.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2989    1.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2069   -0.2406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8385    0.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4509   -0.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1963   -0.2076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9463   -0.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3340    0.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5885    0.0378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1114    0.0560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8573    0.5034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0240    0.0659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4018    2.2550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5239   -0.6536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6912    1.1505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5752   -0.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0660   -1.1723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0660   -1.8942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4669   -2.2401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6912   -2.2551    0.0000 C   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 
 19 20  1  0  0  0  0 
 20 21  1  1  0  0  0 
 23 22  1  1  0  0  0 
 23 24  1  0  0  0  0 
 24 19  1  0  0  0  0 
 19 25  1  0  0  0  0 
 24 26  1  0  0  0  0 
 23 27  1  0  0  0  0 
 20 18  1  0  0  0  0 
 18  8  1  0  0  0  0 
 22 21  1  1  0  0  0 
 15 28  1  0  0  0  0 
  3 29  1  0  0  0  0 
  1 30  1  0  0  0  0 
 22 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
 33 34  2  0  0  0  0 
 33 35  1  0  0  0  0 
S  SKP  8 
ID	FL5FAAGL0061 
KNApSAcK_ID	C00005843 
NAME	Kaempferol 3-(6''-acetylglucoside);6''-O-Acetylastragalin 
CAS_RN	118169-27-0 
FORMULA	C23H22O12 
EXACTMASS	490.111126168 
AVERAGEMASS	490.41358 
SMILES	C(=O)(C=2OC(O4)C(O)C(C(C(COC(C)=O)4)O)O)c(c1O)c(OC(c(c3)ccc(c3)O)2)cc(c1)O 
M  END