Mol:FL5FAAGS0060

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 43 47  0  0  0  0  0  0  0  0999 V2000 
   -0.8426   -0.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8426   -1.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2863   -1.4327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2700   -1.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2700   -0.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2863   -0.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8263   -1.4327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3826   -1.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3826   -0.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8263   -0.1480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8263   -1.9335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9387   -0.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5057   -0.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0727   -0.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0727    0.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5057    0.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9387    0.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2863   -2.0748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8664    0.8859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3375   -0.1480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3211   -1.4633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3525   -0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9814   -0.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4469   -0.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9311   -0.6662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3059   -0.2913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7735   -0.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8664   -0.6863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5600   -0.9078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1406   -1.1858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1323    0.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1323    0.5848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7772    1.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1033    1.7044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1172    1.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8483    1.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2715    1.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0005    1.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4584    1.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1874    1.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4584    2.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0005    2.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3544    1.6054    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 
 19 15  1  0  0  0  0 
 20  1  1  0  0  0  0 
 21  8  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 27  1  0  0  0  0 
 27 22  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
 24 30  1  0  0  0  0 
 25 20  1  0  0  0  0 
 27 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 
 35 36  2  0  0  0  0 
 36 37  1  0  0  0  0 
 37 38  2  0  0  0  0 
 38 39  1  0  0  0  0 
 39 40  2  0  0  0  0 
 40 41  1  0  0  0  0 
 41 42  2  0  0  0  0 
 42 37  1  0  0  0  0 
 40 43  1  0  0  0  0 
S  SKP  8 
ID	FL5FAAGS0060 
KNApSAcK_ID	C00005873 
NAME	Kaempferol 7-(6''-p-coumarylglucoside);Biondnoid A;Buddlenoid A 
CAS_RN	142750-32-1 
FORMULA	C30H26O13 
EXACTMASS	594.137340918 
AVERAGEMASS	594.51964 
SMILES	C(=O)(c32)C(=C(Oc(cc(OC(C(O)5)OC(C(O)C5O)COC(C=Cc(c4)ccc(O)c4)=O)cc3O)2)c(c1)ccc(O)c1)O 
M  END