Mol:FL5FAAGS0053

From Metabolomics.JP
Jump to: navigation, search

FL5FAAGS0053.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 37 40  0  0  0  0  0  0  0  0999 V2000 
   -2.4495    1.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4495    0.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8932    0.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3369    0.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3369    1.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8932    1.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7806    0.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2243    0.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2243    1.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7806    1.5621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7806   -0.2234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4761    1.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0431    1.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6101    1.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6101    2.3405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0431    2.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4761    2.3405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8932   -0.3647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4038    2.7198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9445    1.5621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3390    0.1891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1236   -0.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7518   -1.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5524   -0.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7518    0.1731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1236    0.5358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3228   -0.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0932   -0.1617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2849   -1.4657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7518   -1.8755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1727   -0.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9444   -2.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0696   -2.5227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2148   -2.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3662   -2.2302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9445   -1.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3662   -2.7198    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 
  3 18  1  0  0  0  0 
 19 15  1  0  0  0  0 
 20  1  1  0  0  0  0 
 21  8  1  0  0  0  0 
  4  3  1  0  0  0  0 
 23 22  1  1  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  1  0  0  0 
 27 22  1  1  0  0  0 
 27 28  1  0  0  0  0 
 22 29  1  0  0  0  0 
 23 30  1  0  0  0  0 
 24 31  1  0  0  0  0 
 26 21  1  0  0  0  0 
 29 32  1  0  0  0  0 
 32 33  2  0  0  0  0 
 32 34  1  0  0  0  0 
 30 35  1  0  0  0  0 
 35 36  1  0  0  0  0 
 35 37  2  0  0  0  0 
S  SKP  8 
ID	FL5FAAGS0053 
KNApSAcK_ID	C00005866 
NAME	Kaempferol 3-(3'',4''-diacetylrhamnoside) 
CAS_RN	77307-50-7 
FORMULA	C25H24O12 
EXACTMASS	516.126776232 
AVERAGEMASS	516.4508599999999 
SMILES	CC(=O)OC(C4OC(C)=O)C(C)OC(C4O)OC(=C2c(c3)ccc(c3)O)C(=O)c(c(O2)1)c(O)cc(O)c1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox