Mol:FL1C9AGS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 32  0  0  0  0  0  0  0  0999 V2000 
   -3.0533    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0533   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3388   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6243   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6243    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3388    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9098   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1954   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1954    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5191    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2336    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9480    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9480    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2336    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5191    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9098   -1.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6366    1.8413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2508   -0.7206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0550   -0.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0888    0.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5381    0.9814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7339    0.7963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6999   -0.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0938   -0.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6884   -0.3845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5713   -1.3241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6759   -0.8885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6505   -0.0622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3388   -1.7425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6505   -0.9636    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 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 10  1  0  0  0  0 
  7 16  2  0  0  0  0 
 13 17  1  0  0  0  0 
 18 19  1  1  0  0  0 
 19 20  1  1  0  0  0 
 21 20  1  1  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 18  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 18 26  1  0  0  0  0 
 19 27  1  0  0  0  0 
 20 28  1  0  0  0  0 
 21 17  1  0  0  0  0 
  3 29  1  0  0  0  0 
  2 30  1  0  0  0  0 
S  SKP  8 
ID	FL1C9AGS0002 
KNApSAcK_ID	C00014494 
NAME	4,2',3'-Trihydroxychalcone 4-O-glucoside 
CAS_RN	158500-60-8 
FORMULA	C21H22O9 
EXACTMASS	418.126382302 
AVERAGEMASS	418.39398 
SMILES	C(Oc(c2)ccc(C=CC(=O)c(c3O)cccc(O)3)c2)(O1)C(O)C(O)C(O)C1CO 
M  END