Mol:FL5FAAGS0049

From Metabolomics.JP
Jump to: navigation, search

FL5FAAGS0049.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
   -2.3792    1.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3792    0.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8229    0.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2666    0.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2666    1.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8229    1.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7103    0.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1540    0.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1540    1.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7103    1.5207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7103   -0.2649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5464    1.6443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1134    1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6804    1.6443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6804    2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1134    2.6263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5464    2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8229   -0.4062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4741    2.6783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8742    1.5207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4093    0.1476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1938   -0.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8221   -1.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6227   -0.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8221    0.1316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1938    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3931   -0.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1635   -0.2032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3552   -1.5071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8221   -1.9169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2430   -0.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3438   -2.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8742   -1.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3438   -2.6783    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 
 30 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
 32 34  2  0  0  0  0 
S  SKP  8 
ID	FL5FAAGS0049 
KNApSAcK_ID	C00005862 
NAME	Kaempferol 3-(4''-acetylrhamnoside) 
CAS_RN	135618-17-6 
FORMULA	C23H22O11 
EXACTMASS	474.116211546 
AVERAGEMASS	474.41418000000004 
SMILES	C(=O)(C(OC(C(O)4)OC(C(OC(C)=O)C(O)4)C)=2)c(c1O)c(OC(c(c3)ccc(c3)O)2)cc(c1)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox