Mol:FL5FAAGS0117

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 56 61  0  0  0  0  0  0  0  0999 V2000 
    2.5056    4.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5056    3.9306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2201    3.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9345    3.9306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9345    4.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2201    5.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7911    3.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0766    3.9306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3622    3.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3622    2.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0766    2.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7911    2.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3523    3.9306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0668    3.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0668    2.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3523    2.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0766    1.5624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7812    3.9306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3974    2.3431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5352    5.1025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3523    1.5811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0362   -1.5059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6569   -1.7105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0666   -1.0406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0225   -2.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6797   -2.5766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0071   -3.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8319   -3.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2262   -3.9238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7957   -4.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9710   -4.6068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5767   -3.8821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0898   -5.1681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8978   -4.1221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4323    0.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2007   -0.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6934    0.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4546    0.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6862    1.2765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1934    0.6148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6698    1.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1219    0.9169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0562    0.3508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3803   -0.3632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2213    0.2693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7147   -1.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5395   -1.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7372   -1.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3156   -0.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4908   -0.4761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2929   -1.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7035   -1.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9082   -2.5207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0976   -2.1149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2173   -1.5001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5352   -3.7753    0.0000 C   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  0  0  0  0 
 23 24  2  0  0  0  0 
 23 25  1  0  0  0  0 
 25 26  2  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  2  0  0  0  0 
 28 29  1  0  0  0  0 
 29 30  2  0  0  0  0 
 30 31  1  0  0  0  0 
 31 32  2  0  0  0  0 
 32 27  1  0  0  0  0 
 30 33  1  0  0  0  0 
 29 34  1  0  0  0  0 
 35 36  1  1  0  0  0 
 36 37  1  1  0  0  0 
 38 37  1  1  0  0  0 
 38 39  1  0  0  0  0 
 39 40  1  0  0  0  0 
 40 35  1  0  0  0  0 
 40 41  1  0  0  0  0 
 41 42  1  0  0  0  0 
 35 43  1  0  0  0  0 
 36 44  1  0  0  0  0 
 37 45  1  0  0  0  0 
 38 19  1  0  0  0  0 
 46 47  1  1  0  0  0 
 47 48  1  1  0  0  0 
 49 48  1  1  0  0  0 
 49 50  1  0  0  0  0 
 50 51  1  0  0  0  0 
 51 46  1  0  0  0  0 
 51 52  1  0  0  0  0 
 46 53  1  0  0  0  0 
 47 54  1  0  0  0  0 
 48 55  1  0  0  0  0 
 34 56  1  0  0  0  0 
 22 52  1  0  0  0  0 
 49 45  1  0  0  0  0 
S  SKP  8 
ID	FL5FAAGS0117 
KNApSAcK_ID	C00013784 
NAME	Kaempferol 3-(6''-(E)-feruloylglucosyl)-(1->2)-galactoside;5,7-Dihydroxy-3-[[2-O-[6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-D-galactopyranosyl]oxy]-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one 
CAS_RN	284677-05-0 
FORMULA	C37H38O19 
EXACTMASS	786.200729034 
AVERAGEMASS	786.68622 
SMILES	COc(c1)c(O)ccc1C=CC(=O)OCC(C6O)OC(C(O)C6O)OC(C(O)5)C(OC(C(O)5)CO)OC(C2=O)=C(c(c4)ccc(O)c4)Oc(c3)c2c(cc3O)O 
M  END