Mol:FL5FA8GS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
    2.1185    0.8638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4041    1.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4041    2.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1185    2.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8330    2.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8330    1.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6896    0.8638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0249    1.2763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7394    0.8638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7394    0.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0249   -0.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6896    0.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4538    1.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1683    0.8638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1683    0.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4538   -0.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0249   -1.0807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8828    1.2763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4538   -1.1142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3382   -0.3357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7534    2.4769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1185    0.1896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9110   -1.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6984   -2.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1449   -1.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8828   -1.0147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0954   -0.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6488   -1.4613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1369   -1.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5961   -1.2565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8820   -2.5138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1927   -2.1910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4515   -1.9716    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 
 16 19  1  0  0  0  0 
 12 20  1  0  0  0  0 
  3 21  1  0  0  0  0 
  1 22  1  0  0  0  0 
 23 24  1  1  0  0  0 
 24 25  1  1  0  0  0 
 26 25  1  1  0  0  0 
 26 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
 28 23  1  0  0  0  0 
 28 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
 23 31  1  0  0  0  0 
 24 32  1  0  0  0  0 
 25 33  1  0  0  0  0 
 26 22  1  0  0  0  0 
S  SKP  8 
ID	FL5FA8GS0001 
KNApSAcK_ID	C00013992 
NAME	3,5,7,2',6'-Pentahydroxyflavone 2'-glucoside;2-[2-(beta-D-Glucopyranosyloxy)-6-hydroxyphenyl]-3,5,7-trihydroxy-4H-1-benzopyran-4-one 
CAS_RN	172428-47-6 
FORMULA	C21H20O12 
EXACTMASS	464.095476104 
AVERAGEMASS	464.37629999999996 
SMILES	C(C1Oc(c4)c(c(O)cc4)C(O3)=C(C(=O)c(c32)c(cc(O)c2)O)O)(O)C(O)C(O)C(O1)CO 
M  END