Mol:FL5FAAGS0051

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 42 46  0  0  0  0  0  0  0  0999 V2000 
   -3.7080    1.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7080    0.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1517    0.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5954    0.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5954    1.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1517    1.9385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0391    0.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4828    0.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4828    1.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0391    1.9385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0391    0.1529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7823    2.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2154    1.7347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3516    2.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3516    2.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2154    3.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7823    2.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1517    0.0116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1453    3.0961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2030    1.9385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9195    0.5654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1349   -0.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4933   -0.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2940   -0.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4933    0.5494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1349    0.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0644    0.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8347    0.2146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0264   -1.0894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4933   -1.4992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9142   -0.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7099   -1.9921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3702   -1.9921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4374   -2.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7002   -2.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3588   -2.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6662   -3.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2810   -3.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5883   -2.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2810   -2.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6662   -2.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2030   -2.5637    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 
  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 
  4  3  1  0  0  0  0 
 23 22  1  1  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  1  0  0  0 
 27 22  1  1  0  0  0 
 27 28  1  0  0  0  0 
 22 29  1  0  0  0  0 
 23 30  1  0  0  0  0 
 24 31  1  0  0  0  0 
 26 21  1  0  0  0  0 
 30 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
 32 34  2  0  0  0  0 
 33 35  2  0  0  0  0 
 35 36  1  0  0  0  0 
 36 37  2  0  0  0  0 
 37 38  1  0  0  0  0 
 38 39  2  0  0  0  0 
 39 40  1  0  0  0  0 
 40 41  2  0  0  0  0 
 41 36  1  0  0  0  0 
 39 42  1  0  0  0  0 
S  SKP  8 
ID	FL5FAAGS0051 
KNApSAcK_ID	C00005864 
NAME	Kaempferol 3-(4''-p-coumarylrhamnoside) 
CAS_RN	166321-98-8 
FORMULA	C30H26O12 
EXACTMASS	578.1424262959999 
AVERAGEMASS	578.5202400000001 
SMILES	c(c5)(O)cc(O1)c(c(O)5)C(=O)C(OC(C(O)3)OC(C)C(OC(C=Cc(c4)ccc(c4)O)=O)C3O)=C1c(c2)ccc(c2)O 
M  END