Mol:FL5FALGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 36 39  0  0  0  0  0  0  0  0999 V2000 
   -2.3929   -0.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3929   -1.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8366   -1.5279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2803   -1.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2803   -0.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8366   -0.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7240   -1.5279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1677   -1.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1677   -0.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7240   -0.2432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7240   -2.0287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3884   -0.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9553   -0.5706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5223   -0.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5223    0.4114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9553    0.7387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3884    0.4114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8366   -2.1700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2114    1.9926    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -2.1234    1.2911    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.4715    1.1908    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -0.9545    0.8997    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.1123    1.4886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7689    1.6074    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -2.6628    2.3088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7892    1.3168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4621    0.5025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2456    1.0454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0481    0.8508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7626    0.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6983   -1.7067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5644   -2.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7502    0.0544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2502    0.9204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5392    1.9565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9878    2.8502    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 
  3 18  1  0  0  0  0 
 19 20  1  1  0  0  0 
 20 21  1  1  0  0  0 
 22 21  1  1  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 19  1  0  0  0  0 
 19 25  1  0  0  0  0 
 20 26  1  0  0  0  0 
 21 27  1  0  0  0  0 
 17 28  1  0  0  0  0 
 22 28  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 
  1 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
 24 35  1  0  0  0  0 
 35 36  1  0  0  0  0 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  35  36 
M  SBL   4  1  38 
M  SMT   4  CH2OH 
M  SVB   4 38   -1.5392    1.9565 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  33  34 
M  SBL   3  1  36 
M  SMT   3  OCH3 
M  SVB   3 36   -2.7502    0.0544 
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    0.0311    -1.413 
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    2.0481    0.8508 
S  SKP  8 
ID	FL5FALGS0001 
KNApSAcK_ID	C00005366 
NAME	Morin 3,7,4'-trimethyl ether 2'-glucoside 
CAS_RN	71827-11-7 
FORMULA	C24H26O12 
EXACTMASS	506.142426296 
AVERAGEMASS	506.45604 
SMILES	O(C)c(c4)cc(O)c(c41)C(C(=C(c(c2O[C@@H]([C@H]3O)OC([C@H](O)[C@@H]3O)CO)ccc(c2)OC)O1)OC)=O 
M  END