Mol:FL3FA9GS0003

From Metabolomics.JP
Jump to: navigation, search

FL3FA9GS0003.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 33  0  0  0  0  0  0  0  0999 V2000 
   -0.1738    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1738   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3825   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9388   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9388    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3825    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4951   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0514   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0514    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4951    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4951   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6075    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1744    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7414    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7414    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1744    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6075    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3825   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7299    0.4723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4532    0.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9788   -0.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1951    0.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4786    0.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9993    0.5560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6488    0.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3190    1.0021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7414   -0.3003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7697   -0.6866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4254    0.7547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7109    0.3422    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 
  3 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 20 21  1  1  0  0  0 
 21 22  1  1  0  0  0 
 23 22  1  1  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 20  1  0  0  0  0 
 20 26  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 19  1  0  0  0  0 
 25 29  1  0  0  0  0 
 29 30  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 CH2OH 
M  SBV   1 32   -7.1856    2.8790 
S  SKP  8 
ID	FL3FA9GS0003 
KNApSAcK_ID	C00004111 
NAME	Chrysin 7-galactoside 
CAS_RN	73036-52-9 
FORMULA	C21H20O9 
EXACTMASS	416.11073223799997 
AVERAGEMASS	416.37809999999996 
SMILES	C(=C3)(c(c4)cccc4)Oc(c2C(=O)3)cc(cc(O)2)OC(O1)C(O)C(O)C(O)C1CO 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox