Mol:FL5FAACS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
    1.0770    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0770   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7914   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5059   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5059    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7914    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3233   -0.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3912   -0.3602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1057   -0.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1057   -1.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3912   -2.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3233   -1.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8201   -0.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5346   -0.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5346   -1.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8201   -2.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2056   -0.3852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8201   -2.7496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3912   -2.5822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2056    0.8915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9744   -1.9736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2769    2.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8615    1.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4541    1.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4694    0.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8847    0.8639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2920    1.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7662    1.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6218    2.4190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8680    2.7496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8615    2.4200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1167    1.1079    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 17  1  0  0  0  0 
 16 18  1  0  0  0  0 
 11 19  2  0  0  0  0 
  5 20  1  0  0  0  0 
 12 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 13  1  0  0  0  0 
S  SKP  8 
ID	FL5FAACS0002 
KNApSAcK_ID	C00014021 
NAME	8-C-beta-D-Glucopyranosylkaempferol;8-beta-D-Glucopyranosyl-3,5,7,4'-tetrahydroxyflavone;8-beta-D-Glucopyranosyl-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one 
CAS_RN	562068-65-9 
FORMULA	C21H20O11 
EXACTMASS	448.100561482 
AVERAGEMASS	448.3769 
SMILES	c(c4)(ccc(O)c4)C(O1)=C(C(c(c(O)2)c1c(C(C(O)3)OC(CO)C(O)C3O)c(O)c2)=O)O 
M  END