Mol:FL1C28NI0002

From Metabolomics.JP
Jump to: navigation, search

FL1C28NI0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 33  0  0  0  0  0  0  0  0999 V2000 
    3.3915    0.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3915   -0.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9478   -0.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5041   -0.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5041    0.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9478    0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2582   -0.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8145   -0.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7021   -0.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1412   -0.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7021   -1.1977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1412    0.4148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5886    0.7339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0359    0.4148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0359   -0.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5886   -0.5424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5886   -1.1804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5166   -0.5423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0691   -0.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9478   -1.2198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7593   -0.5753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3094   -0.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8596   -0.5753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4085   -0.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9563   -0.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9563   -1.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5041   -0.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7794   -1.3492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5166    0.7338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9478    1.3492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8648    1.3059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5793    0.8934    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 
  7  8  2  0  0  0  0 
  7  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
  2  8  1  0  0  0  0 
 10 12  2  0  0  0  0 
 12 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 
 16 17  1  0  0  0  0 
 15 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  2  0  0  0  0 
 19 21  2  0  0  0  0 
 25 26  1  0  0  0  0 
 25 27  1  0  0  0  0 
 21 28  1  0  0  0  0 
 14 29  1  0  0  0  0 
  6 30  1  0  0  0  0 
 13 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  32 
M  SMT   1 OCH3 
M  SBV   1 32   -6.8057    3.0204 
S  SKP  8 
ID	FL1C28NI0002 
KNApSAcK_ID	C00007155 
NAME	Homoflemingin 
CAS_RN	18296-15-6 
FORMULA	C26H30O6 
EXACTMASS	438.204238692 
AVERAGEMASS	438.51279999999997 
SMILES	c(c1O)(OC)cc(C(C=Cc(c2O)cc(cc2)O)=O)c(O)c1CC=C(CCC=C(C)C)C 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox