Mol:FLIAAACS0002

From Metabolomics.JP
Jump to: navigation, search

FLIAAACS0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
   -1.9830   -0.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9830   -1.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4267   -1.7387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8704   -1.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8704   -0.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4267   -0.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3141   -1.7387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2422   -1.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2422   -0.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3141   -0.4540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3141   -2.2396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5391   -0.4541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1813    2.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7868    1.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5299    1.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5231    0.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0597    0.9368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3648    1.5147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4777    2.7439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8217    2.4869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1654    0.7325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7983   -1.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7983   -2.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3787   -2.7439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9591   -2.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9591   -1.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3787   -1.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5391   -2.7436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4267   -2.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9296    1.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2152    1.3535    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 
  1 12  1  0  0  0  0 
 13 14  1  1  0  0  0 
 14 15  1  1  0  0  0 
 16 15  1  1  0  0  0 
 16 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 13  1  0  0  0  0 
 13 19  1  0  0  0  0 
 14 20  1  0  0  0  0 
 15 21  1  0  0  0  0 
  6 16  1  0  0  0  0 
  8 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  2  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  2  0  0  0  0 
 27 22  1  0  0  0  0 
 25 28  1  0  0  0  0 
  3 29  1  0  0  0  0 
 18 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  SBV   1 33   -6.9475    5.7873 
S  SKP  8 
ID	FLIAAACS0002 
KNApSAcK_ID	C00006118 
NAME	Genistein 8-C-glucoside 
CAS_RN	66026-80-0 
FORMULA	C21H20O10 
EXACTMASS	432.10564686 
AVERAGEMASS	432.37749999999994 
SMILES	C(C(O)1)(c(c(O)4)c(c(c(O)c4)3)OC=C(C3=O)c(c2)ccc(O)c2)OC(CO)C(O)C1O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox