Mol:FL5F1ACS0001

From Metabolomics.JP
Jump to: navigation, search

FL5F1ACS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
   -2.0665   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0665   -1.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5102   -2.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9539   -1.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9539   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5102   -0.7739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3976   -2.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1587   -1.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1587   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3976   -0.7739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3976   -2.5594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6226   -0.7740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2648    1.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8704    1.4518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6135    0.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6066    0.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1433    0.6170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4483    1.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6394    2.5594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9052    2.1670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2489    0.4127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7492   -0.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3739   -1.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9986   -0.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9986   -0.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3739    0.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7492   -0.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6226    0.2886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7148   -2.0585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0132    1.4461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2987    1.0336    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 
  1 12  1  0  0  0  0 
 13 14  1  1  0  0  0 
 14 15  1  1  0  0  0 
 16 15  1  1  0  0  0 
 16 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 13  1  0  0  0  0 
 13 19  1  0  0  0  0 
 14 20  1  0  0  0  0 
 15 21  1  0  0  0  0 
  6 16  1  0  0  0  0 
  9 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  2  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  2  0  0  0  0 
 27 22  1  0  0  0  0 
 25 28  1  0  0  0  0 
  8 29  1  0  0  0  0 
 18 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  33 
M  SMT   1 CH2OH 
M  SBV   1 33   -7.0310    5.4674 
S  SKP  8 
ID	FL5F1ACS0001 
KNApSAcK_ID	C00006109 
NAME	8-C-Glucosyl-5-deoxykaempferol;8-beta-D-Glucopyranosyl-3,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one 
CAS_RN	108351-24-2 
FORMULA	C21H20O10 
EXACTMASS	432.10564686 
AVERAGEMASS	432.37749999999994 
SMILES	C(C(O)1)(c(c2O)c(O3)c(C(C(O)=C3c(c4)ccc(O)c4)=O)cc2)OC(CO)C(O)C1O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox