Mol:FL5FA9GSS001

From Metabolomics.JP
Jump to: navigation, search

FL5FA9GSS001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 35 38  0  0  0  0  0  0  0  0999 V2000 
    1.4289    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4289    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1434    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8579    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8579    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1434    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7145    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0000    1.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7145    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7145    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0000   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7145    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4289    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1434    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1434    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4289   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0000   -0.8099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8579    1.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4289   -0.7776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3208   -0.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0144   -2.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8371   -2.3325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1145   -1.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7492   -1.0285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9265   -0.9660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6490   -1.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0768   -1.5423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4224   -1.7822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1409   -2.9416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3702   -2.5569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5461   -2.0579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4289    2.2299    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4289    2.9416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7857    2.2299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0894    2.2299    0.0000 O   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 
  2  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 
 14 18  1  0  0  0  0 
 11 17  2  0  0  0  0 
 16 19  1  0  0  0  0 
 12 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 
 26 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
 21 29  1  0  0  0  0 
 22 30  1  0  0  0  0 
 23 31  1  0  0  0  0 
 20 24  1  0  0  0  0 
 13 32  1  0  0  0  0 
 32 33  2  0  0  0  0 
 32 34  2  0  0  0  0 
 32 35  1  0  0  0  0 
S  SKP  8 
ID	FL5FA9GSS001 
KNApSAcK_ID	C00013731 
NAME	3,5,7-Trihydroxyflavone 3-glucoside-8-sulfate;3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-8-sulfonic acid 
CAS_RN	776278-57-0 
FORMULA	C21H20O13S 
EXACTMASS	512.062461416 
AVERAGEMASS	512.4417 
SMILES	C(C(OC(=C(c(c4)cccc4)3)C(c(c(O)2)c(O3)c(c(O)c2)S(O)(=O)=O)=O)1)(O)C(O)C(O)C(O1)CO 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox