Mol:FL5FAAGS0106

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 44 48  0  0  0  0  0  0  0  0999 V2000 
    1.2666    4.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2666    3.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9811    2.7915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6956    3.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6956    4.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9811    4.4415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5522    2.7915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1623    3.2040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8768    2.7915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8768    1.9665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1623    1.5540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5522    1.9665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5912    3.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3057    2.7915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3057    1.9665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5912    1.5540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1623    0.8357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0202    3.2040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1585    1.6164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2963    4.3758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5912    0.8544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5327   -0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2565   -0.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6970    0.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4316    0.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6424    0.6606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2018   -0.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3126    0.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8523    0.1589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5560   -1.0955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1499   -0.7622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3936   -0.3824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0799    0.0138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3936   -1.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0326   -1.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0326   -2.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7471   -2.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7471   -3.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0326   -3.8479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3182   -3.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3182   -2.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0326   -4.4415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2963   -3.7524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0113   -0.5002    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 
 25 19  1  0  0  0  0 
 29 32  1  0  0  0  0 
 32 33  2  0  0  0  0 
 32 34  1  0  0  0  0 
 34 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 
 38 43  1  0  0  0  0 
 24 44  1  0  0  0  0 
S  SKP  8 
ID	FL5FAAGS0106 
KNApSAcK_ID	C00013773 
NAME	Kaempferol 3-(6''-caffeoylglucoside);3-[[6-O-[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one 
CAS_RN	190328-43-9 
FORMULA	C30H26O14 
EXACTMASS	610.13225554 
AVERAGEMASS	610.51904 
SMILES	C(OC(=C3c(c5)ccc(c5)O)C(c(c(O)4)c(cc(O)c4)O3)=O)(C(O)1)OC(COC(=O)C=Cc(c2)ccc(O)c2O)C(O)C(O)1 
M  END