Mol:FL3FECGS0023

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
   -0.4301    1.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0828    1.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2609    2.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0739    2.5279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5867    2.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7650    1.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1043    3.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2305    3.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7434    3.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9216    2.8364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4368    3.2503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0782    3.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8965    4.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2378    4.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7605    4.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9421    4.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6009    3.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5367    3.9344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1987    5.0601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7728    2.2192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9549    0.9337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1734    0.4698    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -2.6578   -0.2108    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.9153    0.0780    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.1988    0.0857    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.7194    0.6064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3690    0.2636    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -3.8872    0.0577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4616   -0.2499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9764   -0.7511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6253    1.1502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3675    0.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5721    1.1635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5270    1.4606    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 
 16 18  1  0  0  0  0 
 19 15  1  0  0  0  0 
  3 20  1  0  0  0  0 
 21  1  1  0  0  0  0 
 22 23  1  1  0  0  0 
 23 24  1  1  0  0  0 
 25 24  1  1  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 22  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
 24 30  1  0  0  0  0 
 25 21  1  0  0  0  0 
  2 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
 27 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  33  34 
M  SBL   2  1  36 
M  SMT   2  CH2OH 
M  SVB   2 36   -2.5721    1.1635 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  34 
M  SMT   1  OCH3 
M  SVB   1 34   -0.5921   -0.5479 
S  SKP  8 
ID	FL3FECGS0023 
KNApSAcK_ID	C00004400 
NAME	6-Methoxyluteolin 7-glucoside 
CAS_RN	569-90-4 
FORMULA	C22H22O12 
EXACTMASS	478.111126168 
AVERAGEMASS	478.40288000000004 
SMILES	COc(c3O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)c(c(c2c3)C(=O)C=C(O2)c(c1)ccc(c1O)O)O 
M  END