Mol:FL1DE9GS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 44 47  0  0  0  0  0  0  0  0999 V2000 
    0.6030    0.2957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6030   -0.5293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3174   -0.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0319   -0.5293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0319    0.2957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3174    0.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7464   -0.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4609   -0.5293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4609    0.2957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1753    0.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8898    0.2957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.6043    0.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.6043    1.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8898    1.9457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1753    1.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7464   -1.7668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6224    0.6367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0554    0.6758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3174    1.4012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6776    1.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3174   -1.6185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6588   -1.9987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5801    0.7026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1674   -0.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3691    0.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5756   -0.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9882    0.6849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7866    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9436    1.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4234    1.3387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0633    0.2194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6161    0.2469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5406   -0.4429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.1211    1.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7084    0.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9101    0.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1166    0.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5292    1.3449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3276    1.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4846    1.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.9644    1.9987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.6043    0.8794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.1571    0.9069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0816    0.2171    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  1  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 
  5 17  1  0  0  0  0 
  1 18  1  0  0  0  0 
  6 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
  3 21  1  0  0  0  0 
 21 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 18  1  0  0  0  0 
 34 35  1  1  0  0  0 
 35 36  1  1  0  0  0 
 37 36  1  1  0  0  0 
 37 38  1  0  0  0  0 
 38 39  1  0  0  0  0 
 39 34  1  0  0  0  0 
 39 40  1  0  0  0  0 
 40 41  1  0  0  0  0 
 34 42  1  0  0  0  0 
 35 43  1  0  0  0  0 
 36 44  1  0  0  0  0 
 37 30  1  0  0  0  0 
S  SKP  8 
ID	FL1DE9GS0001 
KNApSAcK_ID	C00014627 
NAME	Salicifolioside A;2',4'-Dihydroxy-3',6'-dimethoxydihydrochalcone 4'-glucosyl-(1'''->6'')-glucoside;2',4'-Dihydroxy-3',6'-dimethoxydihydrochalcone 4'-gentiobioside 
CAS_RN	243130-37-2 
FORMULA	C29H38O15 
EXACTMASS	626.221070546 
AVERAGEMASS	626.60302 
SMILES	c(c3C(=O)CCc(c4)cccc4)(OC)cc(c(c3O)OC)OC(O1)C(C(O)C(C1COC(C(O)2)OC(CO)C(O)C2O)O)O 
M  END