Mol:FL5FACGS0059

From Metabolomics.JP
Jump to: navigation, search

FL5FACGS0059.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 36 39  0  0  0  0  0  0  0  0999 V2000 
   -1.3722   -1.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3722   -1.9270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8159   -2.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2596   -1.9270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2596   -1.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8159   -0.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2967   -2.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8530   -1.9270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8530   -1.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2967   -0.9635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2967   -2.7490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5535   -0.8398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1205   -1.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6875   -0.8398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6875   -0.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1205    0.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5535   -0.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0367   -0.9010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8159   -2.8109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4370   -2.3159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6458   -1.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6458   -1.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2543   -0.9014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1205    0.7967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2543    0.1421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9111    2.4612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6724    1.8948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1196    1.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3823    1.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5196    1.6040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0720    1.8855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3972    2.7579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3587    2.3818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8275    1.0136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2005    2.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9974    2.5974    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 
  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 
  4  3  1  0  0  0  0 
  1 18  1  0  0  0  0 
 19  3  1  0  0  0  0 
  8 20  1  0  0  0  0 
 18 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 21 23  2  0  0  0  0 
 16 24  1  0  0  0  0 
 15 25  1  0  0  0  0 
 26 27  1  1  0  0  0 
 27 28  1  1  0  0  0 
 29 28  1  1  0  0  0 
 29 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
 31 26  1  0  0  0  0 
 26 32  1  0  0  0  0 
 27 33  1  0  0  0  0 
 28 34  1  0  0  0  0 
 29 24  1  0  0  0  0 
 31 35  1  0  0  0  0 
 35 36  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  35  36 
M  SBL   1  1  38 
M  SMT   1 CH2OH 
M  SBV   1 38   -6.7877    6.0963 
S  SKP  8 
ID	FL5FACGS0059 
KNApSAcK_ID	C00006062 
NAME	Quercetin 3'-glucoside-7-acetate 
CAS_RN	- 
FORMULA	C23H22O13 
EXACTMASS	506.10604078999995 
AVERAGEMASS	506.41298000000006 
SMILES	OC(C4O)C(OC(CO)C4O)Oc(c1)c(O)ccc1C(=C3O)Oc(c2)c(C3=O)c(O)cc2OC(C)=O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox