Mol:FL5FAGGL0001

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

FL5FAGGL0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
   -2.8304   -0.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8304   -0.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2741   -1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7178   -0.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7178   -0.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2741    0.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1615   -1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6052   -0.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6052   -0.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1615    0.2265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1615   -1.5591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0491    0.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5178   -0.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0848    0.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0848    0.8810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5178    1.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0491    0.8810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3865    0.2263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0429   -1.2873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0883   -0.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7007   -1.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4461   -1.2543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1961   -1.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5838   -0.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8383   -1.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3612   -0.9908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1071   -0.5433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0033   -1.0381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6516    1.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2741   -1.7004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5178    1.8629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6516   -0.1009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6721   -1.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3865   -1.8629    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  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 
  1 18  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 20  1  0  0  0  0 
 20 26  1  0  0  0  0 
 25 27  1  0  0  0  0 
 24 28  1  0  0  0  0 
 21 19  1  0  0  0  0 
 19  8  1  0  0  0  0 
 23 22  1  1  0  0  0 
 15 29  1  0  0  0  0 
  3 30  1  0  0  0  0 
 16 31  1  0  0  0  0 
 14 32  1  0  0  0  0 
 23 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  33  34 
M  SBL   1  1  36 
M  SMT   1 CH2OH 
M  SBV   1 36   -4.7635    5.3879 
S  SKP  8 
ID	FL5FAGGL0001 
KNApSAcK_ID	C00005729 
NAME	Myricetin 3-glucoside 
CAS_RN	19833-12-6 
FORMULA	C21H20O13 
EXACTMASS	480.090390726 
AVERAGEMASS	480.37569999999994 
SMILES	O(C(=C3c(c4)cc(O)c(O)c(O)4)C(=O)c(c(O3)2)c(cc(O)c2)O)C(C(O)1)OC(CO)C(O)C1O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox