Mol:FL3FAAGS0004

From Metabolomics.JP
Jump to: navigation, search

FL3FAAGS0004.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
   -1.1523    1.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1523    0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5960    0.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0397    0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0397    1.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5960    1.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5166    0.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0729    0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0729    1.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5166    1.4390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5166   -0.3465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6290    1.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1960    1.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7629    1.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7629    2.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1960    2.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6290    2.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7084    1.4389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5960   -0.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9176   -1.6535    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -2.1308   -1.9852    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.6321   -1.3638    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.0155   -0.9989    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.7268   -0.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1179   -1.4300    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -3.3298   -2.3673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8073   -2.4209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9066   -1.7696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3298    2.4209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3033   -1.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3023   -1.0268    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 
  3 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 
 15 29  1  0  0  0  0 
 25 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  33 
M  SMT   1  CH2OH 
M  SVB   1 33   -2.3626   -1.1099 
S  SKP  8 
ID	FL3FAAGS0004 
KNApSAcK_ID	C00004139 
NAME	Apigenin 5-glucoside 
CAS_RN	28757-27-9 
FORMULA	C21H20O10 
EXACTMASS	432.10564686 
AVERAGEMASS	432.37749999999994 
SMILES	[C@@H]([C@@H]1Oc(c4)c(C(=O)3)c(cc(O)4)OC(=C3)c(c2)ccc(O)c2)(O)[C@@H](O)[C@@H](O)C(O1)CO 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox