Mol:FL1C3CGS0014

From Metabolomics.JP
Revision as of 09:00, 14 March 2009 by Editor (Talk | contribs)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search

FL1C3CGS0014.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 36 38  0  0  0  0  0  0  0  0999 V2000 
   -1.0105    0.3705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0105   -0.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4564   -0.5891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0976   -0.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0976    0.3705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4564    0.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6513   -0.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2038   -0.2699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7551   -0.5882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3053   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8436   -0.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3820   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3820    0.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8436    0.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3053    0.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6513   -1.2269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4564   -1.2284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5642    0.6902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4954   -0.6397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9203   -0.5813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4043   -0.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0580   -1.2421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5594   -1.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0398   -1.0539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4279   -0.6933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9372   -0.8762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7914   -1.0085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5978   -1.2683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2737   -1.5277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3827   -0.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3827    0.4140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0046    0.7731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.6347    0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0046    1.5277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9203    0.6618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6347    0.2493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  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 11  2  0  0  0  0 
 11 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 10  1  0  0  0  0 
  7 16  2  0  0  0  0 
  3 17  1  0  0  0  0 
  1 18  1  0  0  0  0 
 19  2  1  0  0  0  0 
 12 20  1  0  0  0  0 
 21 22  1  1  0  0  0 
 22 23  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 21  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
 26 30  1  0  0  0  0 
 24 19  1  0  0  0  0 
 30 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
 32 34  2  0  0  0  0 
 13 35  1  0  0  0  0 
 35 36  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  35  36 
M  SBL   1  1  37 
M  SMT   1 OCH3 
M  SBV   1 37   -8.2850    4.9094 
S  SKP  8 
ID	FL1C3CGS0014 
KNApSAcK_ID	C00007905 
NAME	Okanin 4-methyl ether 3'-(6''-acetylglucoside) 
CAS_RN	135618-13-2 
FORMULA	C24H26O12 
EXACTMASS	506.142426296 
AVERAGEMASS	506.45604 
SMILES	OC(C(COC(C)=O)1)C(O)C(C(Oc(c2O)c(c(C(C=Cc(c3)cc(c(OC)c3)O)=O)cc2)O)O1)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox