Mol:FL5FFCGL0014

From Metabolomics.JP
Jump to: navigation, search

FL5FFCGL0014.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 35 38  0  0  0  0  0  0  0  0999 V2000 
    0.1203   -5.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7529   -5.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9726   -4.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5597   -4.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0729   -4.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2926   -4.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7794   -3.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3665   -2.9056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2661   -3.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4858   -3.6207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2725   -3.3106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6789   -2.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4549   -1.9101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8758   -1.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5205   -1.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7444   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3236   -2.6389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0993   -5.8119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7959   -2.1718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2465   -0.8213    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.8589   -1.4927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    1.6043   -1.2797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3543   -1.4927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.7420   -0.8213    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    1.9965   -1.0343    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.5194   -1.0161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2653   -0.5687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2283   -0.9516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9412   -1.0209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6048   -4.3818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3889   -2.2511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6519   -0.7935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9249   -4.8279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1945   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3283   -2.8285    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 
  1 18  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 20  1  0  0  0  0 
 20 26  1  0  0  0  0 
 25 27  1  0  0  0  0 
 24 28  1  0  0  0  0 
 21 19  1  0  0  0  0 
 19  8  1  0  0  0  0 
 23 22  1  1  0  0  0 
 15 29  1  0  0  0  0 
  3 30  1  0  0  0  0 
 16 31  1  0  0  0  0 
 14 32  1  0  0  0  0 
  6 33  1  0  0  0  0 
 23 34  1  0  0  0  0 
 34 35  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  34  35 
M  SBL   1  1  37 
M  SMT   1  CH2OH 
M  SVB   1 37    3.1945   -1.8375 
S  SKP  8 
ID	FL5FFCGL0014 
KNApSAcK_ID	C00005793 
NAME	Hibiscetin 3-glucoside 
CAS_RN	482-34-8 
FORMULA	C21H20O14 
EXACTMASS	496.085305348 
AVERAGEMASS	496.3751 
SMILES	c(c42)(c(O)c(O)cc4O)OC(=C(O[C@@H](C(O)3)O[C@H](CO)[C@H](O)C3O)C2=O)c(c1)cc(O)c(O)c(O)1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox