Mol:FL3FCECS0001

From Metabolomics.JP
Jump to: navigation, search

FL3FCECS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
   -1.1371   -0.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1371   -0.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5808   -1.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0245   -0.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0245   -0.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5808    0.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5318   -1.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0881   -0.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0881   -0.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5318    0.1086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5318   -1.6770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5808   -1.8183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7680    0.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3542   -0.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9404    0.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9404    0.8885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3542    1.2269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7680    0.8885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6905   -1.0995    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -3.1748   -1.6770    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -2.6592   -1.3676    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.9580   -1.4501    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -2.4530   -0.9963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0098   -1.2645    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -4.2407   -1.4172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8172   -1.7595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3498   -1.9034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3542    1.9034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1917   -0.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1501   -0.2157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4943    0.4062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9942    1.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5262    1.2267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2407    0.8142    0.0000 C   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 
  3 12  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 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 13  1  0  0  0  0 
  9 13  1  0  0  0  0 
 19 20  1  1  0  0  0 
 20 21  1  1  0  0  0 
 22 21  1  1  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 19  1  0  0  0  0 
 19 25  1  0  0  0  0 
 20 26  1  0  0  0  0 
  2 22  1  0  0  0  0 
 21 27  1  0  0  0  0 
 17 28  1  0  0  0  0 
 24 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
  1 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
 16 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  29  30 
M  SBL   3  1  32 
M  SMT   3  CH2OH 
M  SVB   3 32   -3.1917   -0.5013 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  33  34 
M  SBL   2  1  36 
M  SMT   2  OCH3 
M  SVB   2 36    3.5262    1.2267 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  34 
M  SMT   1  OCH3 
M  SVB   1 34   -1.4943    0.4062 
S  SKP  8 
ID	FL3FCECS0001 
KNApSAcK_ID	C00006144 
NAME	6-C-Glucopyranosylpilloin;Pilloin 6-C-beta-D-glucoside;6-beta-D-Glucopyranosyl-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one 
CAS_RN	135625-46-6 
FORMULA	C23H24O11 
EXACTMASS	476.13186161 
AVERAGEMASS	476.43006 
SMILES	C(C(=O)2)=C(Oc(c3)c2c(O)c([C@H](O4)[C@@H](O)[C@H]([C@H](C4CO)O)O)c3OC)c(c1)ccc(c1O)OC 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox