Mol:FL5FAAGS0136

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 57 62  0  0  0  0  0  0  0  0999 V2000 
    2.6872    3.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6872    2.3397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4017    1.9272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1162    2.3397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1162    3.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4017    3.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9727    1.9272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2583    2.3397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5438    1.9272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5438    1.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2583    0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9727    1.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1707    2.3397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8851    1.9272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8851    1.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1707    0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2583   -0.0285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5996    2.3397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6504    0.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7169    3.5116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1707   -0.0098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2337    2.4531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8210    1.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0227    1.9475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2292    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6418    2.4354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4402    2.2264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5972    2.8122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0770    3.0892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7169    1.9699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2697    1.9974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1942    1.3076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0716   -1.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8791   -1.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2570   -0.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9561   -0.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1487   -0.0210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7706   -0.7547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1908   -0.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6638   -0.6319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5807   -1.2196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1282   -1.8528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8416   -0.9275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0732   -0.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0823   -1.2122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4704   -0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9869   -2.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7855   -3.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1972   -2.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9158   -1.9810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1172   -1.7728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7055   -2.4881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1782   -2.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6440   -2.3357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9917   -3.5772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2860   -3.2395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5324   -2.9581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  2  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12  7  2  0  0  0  0 
  9 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 10  1  0  0  0  0 
 14 18  1  0  0  0  0 
 11 17  2  0  0  0  0 
 12 19  1  0  0  0  0 
  5 20  1  0  0  0  0 
 16 21  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 
 27 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
 22 30  1  0  0  0  0 
 23 31  1  0  0  0  0 
 24 32  1  0  0  0  0 
 25 18  1  0  0  0  0 
 33 34  1  1  0  0  0 
 34 35  1  1  0  0  0 
 36 35  1  1  0  0  0 
 36 37  1  0  0  0  0 
 37 38  1  0  0  0  0 
 38 33  1  0  0  0  0 
 38 39  1  0  0  0  0 
 39 40  1  0  0  0  0 
 33 41  1  0  0  0  0 
 34 42  1  0  0  0  0 
 35 43  1  0  0  0  0 
 36 19  1  0  0  0  0 
 40 44  1  0  0  0  0 
 44 45  2  0  0  0  0 
 44 46  1  0  0  0  0 
 47 48  1  1  0  0  0 
 48 49  1  1  0  0  0 
 50 49  1  1  0  0  0 
 50 51  1  0  0  0  0 
 51 52  1  0  0  0  0 
 52 47  1  0  0  0  0 
 52 53  1  0  0  0  0 
 53 54  1  0  0  0  0 
 47 55  1  0  0  0  0 
 48 56  1  0  0  0  0 
 49 57  1  0  0  0  0 
 50 43  1  0  0  0  0 
S  SKP  8 
ID	FL5FAAGS0136 
KNApSAcK_ID	C00013803 
NAME	Kaempferol 3-glucosyl-(1->2)-(6''-acetylgalactoside)-7-glucoside;3-[(6-O-Acetyl-2-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one 
CAS_RN	382141-37-9 
FORMULA	C35H42O22 
EXACTMASS	814.216773028 
AVERAGEMASS	814.69478 
SMILES	C(OC(C(O)2)C(OC(C(=O)6)=C(Oc(c64)cc(OC(C(O)5)OC(CO)C(C5O)O)cc(O)4)c(c3)ccc(c3)O)OC(COC(C)=O)C(O)2)(C(O)1)OC(C(O)C(O)1)CO 
M  END