Mol:FL3FDCCS0001

From Metabolomics.JP
Jump to: navigation, search

FL3FDCCS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
    1.3251    0.6137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3251   -0.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0396   -0.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7541   -0.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7541    0.6137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0396    1.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5714   -0.6464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1430   -0.2339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8575   -0.6464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8575   -1.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1430   -1.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5714   -1.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5720   -0.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2864   -0.6464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2864   -1.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5720   -1.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9575   -0.2590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5720   -2.6234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1430   -2.4560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3655    0.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5556   -0.6741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2758   -3.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5556   -0.6043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6208    2.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2588    2.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9225    1.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0171    0.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3791    1.0582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7153    1.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1629    2.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9677    2.5807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1763    3.0298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1063    2.6774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5818    1.4196    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 17  1  0  0  0  0 
 16 18  1  0  0  0  0 
 11 19  2  0  0  0  0 
  5 20  1  0  0  0  0 
  4 21  1  0  0  0  0 
 18 22  1  0  0  0  0 
 17 23  1  0  0  0  0 
 24 25  1  1  0  0  0 
 25 26  1  1  0  0  0 
 27 26  1  1  0  0  0 
 27 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
 29 24  1  0  0  0  0 
 29 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
 24 32  1  0  0  0  0 
 25 33  1  0  0  0  0 
 26 34  1  0  0  0  0 
 13 27  1  0  0  0  0 
S  SKP  8 
ID	FL3FDCCS0001 
KNApSAcK_ID	C00014018 
NAME	Parkinsonin B;2-(3,4-dihydroxyphenyl)-8-alpha-D-Glucopyranosyl-5,7-dimethoxy-4H-1-benzopyran-4-one 
CAS_RN	6980-22-9 
FORMULA	C23H24O11 
EXACTMASS	476.13186161 
AVERAGEMASS	476.43006 
SMILES	OC(C1O)C(C(c(c(OC)4)c(c(c(OC)c4)3)OC(=CC(=O)3)c(c2)ccc(c2O)O)OC1CO)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox