Mol:FL5FDBGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
   -0.8097    0.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8097   -0.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2534   -0.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3029   -0.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3029    0.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2534    0.4531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8592   -0.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4155   -0.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4155    0.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8592    0.4531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8592   -1.8316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9716    0.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5386    0.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1056    0.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1056    1.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5386    1.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9716    1.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3658    0.4530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2534   -1.4737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0890    0.4207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -3.5734   -0.2599    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -2.8309    0.0288    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -2.1145    0.0366    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -2.6351    0.5573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2847    0.2145    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -4.4538    0.6314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3772   -0.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4055   -0.6853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7395    1.4737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4540    1.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8140   -1.3422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2461   -2.2440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4850    1.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7512    1.7760    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 
  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  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 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 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 20 21  1  1  0  0  0 
 21 22  1  1  0  0  0 
 23 22  1  1  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 20  1  0  0  0  0 
 20 26  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 18  1  0  0  0  0 
 15 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
  8 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
 25 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  33  34 
M  SBL   3  1  36 
M  SMT   3  CH2OH 
M  SVB   3 36    -3.485    1.0967 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  31  32 
M  SBL   2  1  34 
M  SMT   2  OCH3 
M  SVB   2 34     1.814   -1.3422 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  32 
M  SMT   1  OCH3 
M  SVB   1 32    3.7395    1.4737 
S  SKP  8 
ID	FL5FDBGS0001 
KNApSAcK_ID	C00005298 
NAME	Ermanin 7-glucoside 
CAS_RN	41756-09-6 
FORMULA	C23H24O11 
EXACTMASS	476.13186161 
AVERAGEMASS	476.43006 
SMILES	c(c1)(O3)c(C(C(OC)=C3c(c4)ccc(OC)c4)=O)c(O)cc1O[C@@H]([C@H]2O)OC(CO)[C@@H]([C@@H]2O)O 
M  END