Mol:FL63FCGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 37 40  0  0  0  0  0  0  0  0999 V2000 
   -0.1657   -0.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1657   -0.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8802    0.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5947   -0.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5947   -0.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8802   -1.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5487   -1.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2632   -0.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2632   -0.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5487    0.3063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9777    0.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6501   -0.0819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3225    0.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3226    1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6501    1.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9777    1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3091    0.3063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6501    2.2960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9610    1.4514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0548   -1.3882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3403   -2.6257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0548   -2.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7692   -2.6257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8802   -2.1352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5947   -2.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2831    2.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1399    1.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3184    1.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6507    0.7109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7938    1.5234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6152    1.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8802    1.0007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5599    2.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8899    2.6257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9610    1.9650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5402    1.7492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8098    0.9664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  1  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 
  1  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  2  1  0  0  0  0 
  9 11  1  6  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 
  4 17  1  0  0  0  0 
 18 15  1  0  0  0  0 
  8 20  1  6  0  0  0 
 14 19  1  0  0  0  0 
  6 24  1  0  0  0  0 
 20 22  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 23  1  0  0  0  0 
 24 25  1  0  0  0  0 
 26 27  1  1  0  0  0 
 27 28  1  1  0  0  0 
 29 28  1  1  0  0  0 
 29 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
 31 26  1  0  0  0  0 
  3 32  1  0  0  0  0 
 32 29  1  0  0  0  0 
 31 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
 26 35  1  0  0  0  0 
 27 36  1  0  0  0  0 
 28 37  1  0  0  0  0 
S  SKP  8 
ID	FL63FCGS0001 
KNApSAcK_ID	C00013253 
NAME	Barbatoflavan;(2R,3R)-3-(Acetyloxy)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-7-hydroxy-5-methoxy-2H-1-benzopyran-8-yl beta-D-Glucopyranoside 
CAS_RN	342643-67-8 
FORMULA	C24H28O13 
EXACTMASS	524.152990982 
AVERAGEMASS	524.47132 
SMILES	C(C(C(O)1)OC(Oc(c4O)c(c2c(OC)c4)OC(c(c3)cc(c(c3)O)O)C(C2)OC(C)=O)C(C1O)O)O 
M  END