Mol:FL3F1ACS0001

From Metabolomics.JP
Jump to: navigation, search

FL3F1ACS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 33  0  0  0  0  0  0  0  0999 V2000 
   -1.9630   -1.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9630   -1.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067   -2.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8504   -1.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8504   -1.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067   -0.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941   -2.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2622   -1.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2622   -1.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941   -0.8911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941   -2.6767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183   -0.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853   -1.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9523   -0.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9523   -0.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853    0.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183   -0.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5191    0.0907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5191   -0.8913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1613    1.7933    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -1.7669    1.3345    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.5099    0.6739    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.5031    0.0364    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.0397    0.4997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3448    1.0776    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -1.6713    2.6767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8017    2.0497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1454    0.2954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8179    1.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3609    1.9928    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 
 15 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 
  6 23  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  SVB   1 32   -0.8179    1.1034 
S  SKP  8 
ID	FL3F1ACS0001 
KNApSAcK_ID	C00006083 
NAME	Bayin;8-beta-D-Glucopyranosyl-4',7-dihydroxyflavone 
CAS_RN	3681-96-7 
FORMULA	C21H20O9 
EXACTMASS	416.11073223799997 
AVERAGEMASS	416.37809999999996 
SMILES	c(c4)(c(c(c(c4)3)OC(=CC(=O)3)c(c2)ccc(O)c2)[C@@H]([C@@H](O)1)OC(CO)[C@H](O)[C@@H]1O)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox