Mol:FL3FEAGS0043

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

FL3FEAGS0043.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
    3.0287    0.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6632    0.4838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6632    1.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0287    1.5829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3941    1.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3941    0.4838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7468    0.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1000    0.4836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4531    0.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4531   -0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1000   -1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7468   -0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2035    0.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8600    0.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8600   -0.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2035   -1.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1000   -1.5019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3084   -1.0964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2035   -1.5829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4807    0.4685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2097    0.5787    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -3.6858   -0.0585    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -2.9327    0.2784    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -2.1130    0.1846    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -2.6369    0.8219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3900    0.4850    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -2.7254   -0.2864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4129    0.0676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.8707    0.2987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3531    1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1984    1.9385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1563    1.5012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8707    1.0887    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 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12  7  2  0  0  0  0 
  9 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 10  1  0  0  0  0 
 11 17  2  0  0  0  0 
 15 18  1  0  0  0  0 
 16 19  1  0  0  0  0 
 14 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 
 23 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 21 29  1  0  0  0  0 
 20 24  1  0  0  0  0 
 26 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
  3 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  30  31 
M  SBL   2  1  33 
M  SMT   2  CH2OH 
M  SVB   2 33   -3.3531    1.4042 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  32  33 
M  SBL   1  1  35 
M  SMT   1  OCH3 
M  SVB   1 35    4.1563    1.5012 
S  SKP  8 
ID	FL3FEAGS0043 
KNApSAcK_ID	C00010278 
NAME	Scutellarein 4'-methyl ether 7-glucoside;Stachannin 
CAS_RN	35536-70-0 
FORMULA	C22H22O11 
EXACTMASS	462.116211546 
AVERAGEMASS	462.40348000000006 
SMILES	O=C(c31)C=C(c(c4)ccc(OC)c4)Oc(cc(c(c(O)3)O)O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox