Mol:FL7AAAGO0006

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
    0.0156   -0.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6260   -0.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6260    0.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0156    0.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5949    0.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5949   -0.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2365   -0.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8469   -0.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8469    0.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2365    0.4553    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0 
    2.4284    0.4386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0120    0.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5956    0.4386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5956    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0120    1.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4284    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0773    1.3906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0942    0.3912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0156   -1.4494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4182   -0.9318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7360   -0.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0615   -0.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4251   -0.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6099    0.0647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2843    0.5399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9209    0.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2578    0.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7089    0.4598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0773   -0.5969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6782   -0.5318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0311   -0.3402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  2  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10  3  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 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 11  1  0  0  0  0 
 14 17  1  0  0  0  0 
  5 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
  8 20  1  0  0  0  0 
 21 22  1  1  0  0  0 
 22 23  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 21  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
 21 29  1  0  0  0  0 
 22 30  1  0  0  0  0 
 23 31  1  0  0  0  0 
 18 24  1  0  0  0  0 
S  SKP  8 
ID	FL7AAAGS0006 
KNApSAcK_ID	C00011341 
NAME	Pelargonidin 7-glucoside 
CAS_RN	125107-92-8 
FORMULA	C21H21O10 
EXACTMASS	433.113471892 
AVERAGEMASS	433.38544 
SMILES	Oc(c1)ccc(c([o+1]4)c(O)cc(c24)c(cc(OC(O3)C(O)C(O)C(O)C3CO)c2)O)c1 
M  END