Mol:FLIA1AGS0004

From Metabolomics.JP
Jump to: navigation, search

FLIA1AGS0004.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 33  0  0  0  0  0  0  0  0999 V2000 
    2.0483   -0.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3946   -0.8215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8931   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4128   -0.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0247   -0.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5153   -0.4556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2799   -0.1371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5210   -0.2728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8503   -0.5161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8503    1.4274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2940    1.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7377    1.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1816    1.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1816    0.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6048    0.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0281    0.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0281    1.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6048    1.4393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2938    0.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7377    0.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6048   -0.5581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4518    0.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4518   -0.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0996   -0.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6509   -0.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6509    0.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0996    0.4260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2023   -0.8473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2568   -1.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4318   -1.4393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  1  0  0  0 
  2  3  1  1  0  0  0 
  4  3  1  1  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  1  0  0  0  0 
  6  7  1  0  0  0  0 
  5  8  1  0  0  0  0 
  4  9  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 18  1  0  0  0  0 
 18 13  1  0  0  0  0 
 11 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20 14  1  0  0  0  0 
 15 21  2  0  0  0  0 
 16 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 
  1 28  1  0  0  0  0 
  3 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  32 
M  SMT   1 CH2OH 
M  SBV   1 32   -5.8326    3.2587 
S  SKP  8 
ID	FLIA1AGS0004 
KNApSAcK_ID	C00010079 
NAME	Daidzein 4'-O-glucoside 
CAS_RN	58970-69-7 
FORMULA	C21H20O9 
EXACTMASS	416.11073223799997 
AVERAGEMASS	416.37809999999996 
SMILES	c(c1)(O4)c(C(C(=C4)c(c2)ccc(OC(O3)C(O)C(O)C(O)C3CO)c2)=O)ccc(O)1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox