Mol:FLIAECGS0007

From Metabolomics.JP
Jump to: navigation, search

FLIAECGS0007.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 35 39  0  0  0  0  0  0  0  0999 V2000 
   -1.5917    0.9663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0354    0.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4791    0.9663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0770    0.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0770   -0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6537   -0.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2304   -0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2304    0.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6537    0.9783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0352    0.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4791   -0.3179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6537   -1.0192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8068   -0.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8068   -0.9901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3581   -1.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9095   -0.9901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9095   -0.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3581   -0.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6956    0.7626    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -3.3494    0.3055    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -2.8508    0.4994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -2.3312    0.4937    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -2.7193    0.8543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2286    0.6714    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -4.6664    1.0026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8892    0.2793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5651    0.0199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4896   -0.9586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5150   -1.1868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8892   -0.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5150   -0.1567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7497    0.0952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7497   -0.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1668    1.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3361    2.0031    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  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9  4  1  0  0  0  0 
  2 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11  5  1  0  0  0  0 
  6 12  2  0  0  0  0 
  7 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 13  1  0  0  0  0 
 19 20  1  1  0  0  0 
 20 21  1  1  0  0  0 
 22 21  1  1  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 19  1  0  0  0  0 
 19 25  1  0  0  0  0 
 20 26  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22  1  1  0  0  0  0 
 11 28  1  0  0  0  0 
 16 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
 31 17  1  0  0  0  0 
 10 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
 24 34  1  0  0  0  0 
 34 35  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  34  35 
M  SBL   2  1  38 
M  SMT   2  CH2OH 
M  SVB   2 38   -2.5797    0.9703 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  32  33 
M  SBL   1  1  36 
M  SMT   1  OCH3 
M  SVB   1 36   -1.7497    0.0952 
S  SKP  8 
ID	FLIAECGS0007 
KNApSAcK_ID	C00010150 
NAME	Dalspinin 7-O-galactoside 
CAS_RN	98568-73-1 
FORMULA	C23H22O12 
EXACTMASS	490.111126168 
AVERAGEMASS	490.41358 
SMILES	COc(c4O[C@@H]([C@@H](O)5)OC(CO)[C@@H]([C@@H]5O)O)c(c(C1=O)c(c4)OC=C1c(c3)cc(O2)c(c3)OC2)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox