Mol:FL5FA9GS0004

From Metabolomics.JP
Jump to: navigation, search

FL5FA9GS0004.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
    0.1008    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1008   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6571   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2134   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2134    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6571    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7697   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3260   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3260    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7697    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7697   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8821    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4491    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0161    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0161    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4491    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8821    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4553    0.4723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3023    0.4607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7867   -0.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0442    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3277    0.0765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8483    0.5973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4979    0.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0161    0.0485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5905   -0.2591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6187   -0.6454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6571   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7193   -0.7318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4338   -1.1443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8885    0.6507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4719    1.2341    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 
 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 18  1  0  0  0  0 
  3 28  1  0  0  0  0 
  8 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
 24 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  32 
M  SMT   1 OCH3 
M  SBV   1 32   -5.7924    4.5306 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  31  32 
M  SBL   2  1  34 
M  SMT   2 ^CH2OH 
M  SBV   2 34   -6.5762    5.1676 
S  SKP  8 
ID	FL5FA9GS0004 
KNApSAcK_ID	C00005125 
NAME	Galangin 3-methyl ether 7-glucoside 
CAS_RN	- 
FORMULA	C22H22O10 
EXACTMASS	446.121296924 
AVERAGEMASS	446.40408 
SMILES	C(C1O)(C(C(OC1Oc(c2)cc(O3)c(C(=O)C(=C(c(c4)cccc4)3)OC)c(O)2)CO)O)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox