Mol:FL5FADGL0034

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

FL5FADGL0034.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 37 40  0  0  0  0  0  0  0  0999 V2000 
   -1.8168   -3.7288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1964   -3.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7422   -3.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9085   -2.8204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5289   -2.6541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9831   -3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4542   -2.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6205   -1.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2409   -1.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6952   -2.0337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0294   -2.4957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4072   -0.9592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9443   -0.4962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1137    0.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7460    0.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2089   -0.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0395   -0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0788   -1.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8106   -0.0019    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.4229   -0.6733    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    1.1684   -0.4603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9184   -0.6733    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.3061   -0.0019    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    1.5606   -0.2149    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.0835   -0.1967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8294    0.2507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9204   -0.1665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0049    1.2715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1220   -3.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1667   -4.2675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5473   -0.6733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8929   -1.2719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1825   -2.0025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8499   -2.5786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7191   -2.0025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6922    0.2655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4447    0.9241    0.0000 C   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 
 19 20  1  0  0  0  0 
 20 21  1  1  0  0  0 
 23 22  1  1  0  0  0 
 23 24  1  0  0  0  0 
 24 19  1  0  0  0  0 
 19 25  1  0  0  0  0 
 24 26  1  0  0  0  0 
 23 27  1  0  0  0  0 
 20 18  1  0  0  0  0 
 18  8  1  0  0  0  0 
 22 21  1  1  0  0  0 
 15 28  1  0  0  0  0 
  3 29  1  0  0  0  0 
  1 30  1  0  0  0  0 
 22 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
 33 34  2  0  0  0  0 
 33 35  1  0  0  0  0 
 16 36  1  0  0  0  0 
 36 37  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  36  37 
M  SBL   1  1  39 
M  SMT   1  OCH3 
M  SVB   1 39    0.5235    2.5786 
S  SKP  8 
ID	FL5FADGL0034 
KNApSAcK_ID	C00006005 
NAME	Isorhamnetin 3-(6''-acetylglucoside) 
CAS_RN	64317-85-7 
FORMULA	C24H24O13 
EXACTMASS	520.121690854 
AVERAGEMASS	520.43956 
SMILES	O[C@@H]([C@H]4COC(C)=O)C(O)C(O)[C@@H](O4)OC(C1=O)=C(c(c3)cc(OC)c(c3)O)Oc(c2)c1c(O)cc2O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox