Mol:FL3FECGS0024

From Metabolomics.JP
Jump to: navigation, search

FL3FECGS0024.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
   -0.1251    0.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1251   -0.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3260   -0.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7770   -0.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7770    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3260    0.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2281   -0.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6792   -0.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6792    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2281    0.7104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3998   -0.6992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1301    0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5898    0.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0495    0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0495    1.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5898    1.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1301    1.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5898    2.1103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6397    1.5819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3260   -0.8510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5752   -0.3307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9259   -1.0043    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -2.4103   -1.6849    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.6678   -1.3961    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -0.9513   -1.3884    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.4719   -0.8677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1215   -1.2105    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -3.6397   -1.4164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2141   -1.7240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2423   -2.1103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3246   -0.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2795   -0.0135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4723    1.1273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9514    2.0051    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 
 16 18  1  0  0  0  0 
 19 15  1  0  0  0  0 
  3 20  1  0  0  0  0 
  2 21  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 
 27 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 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  31  32 
M  SBL   2  1  34 
M  SMT   2  CH2OH 
M  SVB   2 34   -2.3246   -0.3106 
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  SVB   1 36   -0.4723    1.1273 
S  SKP  8 
ID	FL3FECGS0024 
KNApSAcK_ID	C00004403 
NAME	6-Hydroxyluteolin 7-methyl ether 6-glucoside 
CAS_RN	22860-72-6 
FORMULA	C22H22O12 
EXACTMASS	478.111126168 
AVERAGEMASS	478.40288000000004 
SMILES	C(C(=O)4)=C(Oc(c42)cc(c(O[C@H](O3)[C@@H](O)[C@H]([C@H](C(CO)3)O)O)c2O)OC)c(c1)ccc(c1O)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox