Mol:FL2FCEGS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
   -2.4614    0.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7488    1.1405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4582   -0.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7415   -0.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0288   -0.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0325    0.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3125   -0.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4001   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3964    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3199    1.1468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0502    1.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7663    0.7086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4791    1.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4760    1.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7599    2.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0470    1.9433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3115   -1.1464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0869    1.0859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7415   -1.2176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1227    0.7523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1070    2.3132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7445    1.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7445    0.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2560   -1.7393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0687   -1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1450   -0.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6295   -0.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8167   -0.2493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7403   -1.0711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1361   -1.0184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7117   -1.3746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5449   -2.3586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6719   -1.9289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6878   -1.1540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  1  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  2  1  0  0  0  0 
  5  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  6  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 
  7 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
  4 19  1  0  0  0  0 
 13 20  1  0  0  0  0 
 14 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 18 23  1  0  0  0  0 
 24 25  1  1  0  0  0 
 25 26  1  1  0  0  0 
 27 26  1  1  0  0  0 
 27 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
 29 24  1  0  0  0  0 
 29 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
 24 32  1  0  0  0  0 
 25 33  1  0  0  0  0 
 26 34  1  0  0  0  0 
 27 20  1  0  0  0  0 
S  SKP  8 
ID	FL2FCEGS0002 
KNApSAcK_ID	C00014347 
NAME	5,3'-Dihydroxy-7,4'-dimethoxyflavanone 3'-glucoside;Persicogenin 3'-glucoside 
CAS_RN	164863-05-2 
FORMULA	C23H26O11 
EXACTMASS	478.147511674 
AVERAGEMASS	478.44594 
SMILES	OC(C1O)C(Oc(c(OC)4)cc(cc4)C(O3)CC(c(c23)c(cc(c2)OC)O)=O)OC(CO)C1O 
M  END