Mol:FL5FCGGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
   -2.2600    0.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2600    0.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7037   -0.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1474    0.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1474    0.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7037    1.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5911   -0.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0348    0.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0348    0.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5911    1.1063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5911   -0.6793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5213    1.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0882    0.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6552    1.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6552    1.7609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0882    2.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5213    1.7609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7037   -0.8206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5213   -0.1783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4489    2.1402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2220    0.7789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7668   -1.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3950   -2.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1957   -1.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3950   -0.7778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7668   -0.4150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9661   -1.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7364   -1.1126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9282   -2.4165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2435   -2.7427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8159   -1.8376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0882    2.7427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8159    1.3670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0190    1.1534    0.0000 C   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 
  3 18  1  0  0  0  0 
  8 19  1  0  0  0  0 
 20 15  1  0  0  0  0 
 14 21  1  0  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 26  1  0  0  0  0 
 26 27  1  1  0  0  0 
 27 22  1  1  0  0  0 
 27 28  1  0  0  0  0 
 22 29  1  0  0  0  0 
 23 30  1  0  0  0  0 
 24 31  1  0  0  0  0 
 26 19  1  0  0  0  0 
 16 32  1  0  0  0  0 
  1 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  33  34 
M  SBL   1  1  36 
M  SMT   1 ^OCH3 
M  SBV   1 36   -6.8955    5.6157 
S  SKP  8 
ID	FL5FCGGS0001 
KNApSAcK_ID	C00005759 
NAME	Europetin 3-rhamnoside 
CAS_RN	130364-27-1 
FORMULA	C22H22O12 
EXACTMASS	478.111126168 
AVERAGEMASS	478.40288000000004 
SMILES	OC(C1OC(C(=O)4)=C(Oc(c43)cc(cc3O)OC)c(c2)cc(O)c(O)c(O)2)C(C(O)C(C)O1)O 
M  END