Mol:FL7ABHNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
   -2.1416   -0.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1416   -0.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5853   -1.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0290   -0.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0290   -0.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5853    0.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4727   -1.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0836   -0.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0836   -0.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4727    0.1107    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0 
    0.6397    0.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2067   -0.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7737    0.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7737    0.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2067    1.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6397    0.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3405    1.0925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6977    0.1106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6397   -1.1739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2067    1.7471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6398   -0.3893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5058   -0.8893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0217   -1.3346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3073   -1.7471    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  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10  5  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 
 14 17  1  0  0  0  0 
  1 18  1  0  0  0  0 
  8 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
 13 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  3 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  25 
M  SMT   2  OCH3 
M  SVB   2 25   -2.0217   -1.3346 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  23 
M  SMT   1  OCH3 
M  SVB   1 23    1.9832   -0.0957 
S  SKP  8 
ID	FL7ABHNS0001 
KNApSAcK_ID	C00006618 
NAME	Europinidin 
CAS_RN	19077-87-3 
FORMULA	C17H15O7 
EXACTMASS	331.081777834 
AVERAGEMASS	331.29679999999996 
SMILES	COc(c1)c(O)c(O)cc1c([o+1]2)c(O)cc(c(OC)3)c(cc(O)c3)2 
M  END