Mol:FL3FADCS0012

From Metabolomics.JP
Jump to: navigation, search

FL3FADCS0012.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 43 47  0  0  0  0  0  0  0  0999 V2000 
   -2.7842   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7842   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0698   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3554   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3554   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0698   -0.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6409   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0736   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0736   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6409   -0.5251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6409   -2.8181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4984   -0.5252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8992    2.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8315    1.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8116    0.8527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0833    0.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3207    0.4360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4350    1.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0144    2.9996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5993    2.4956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5165    0.3850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0698   -2.9996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9467   -0.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6995   -0.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4523   -0.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4523    0.4766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6995    0.9112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9467    0.4766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2047    0.9110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0272    0.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3527    0.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5668    0.8384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3527    1.5918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0272    1.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8132    1.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8145    2.5687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3841    2.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4599    1.6411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.6767    0.4060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7474    1.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0663    0.7367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5645   -1.0348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6767   -1.6769    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 
  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 
  3 22  1  0  0  0  0 
 23 24  2  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  2  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  2  0  0  0  0 
 28 23  1  0  0  0  0 
  9 23  1  0  0  0  0 
 26 29  1  0  0  0  0 
 31 30  1  1  0  0  0 
 31 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
 34 35  1  1  0  0  0 
 35 30  1  1  0  0  0 
 34 36  1  0  0  0  0 
 33 37  1  0  0  0  0 
 35 38  1  0  0  0  0 
 30 39  1  0  0  0  0 
 31 21  1  0  0  0  0 
 40 41  1  0  0  0  0 
 18 40  1  0  0  0  0 
 42 43  1  0  0  0  0 
 25 42  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  40  41 
M  SBL   1  1  45 
M  SMT   1  CH2OH 
M  SBV   1  45   -0.6876   -0.2809 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  42  43 
M  SBL   2  1  47 
M  SMT   2  OCH3 
M  SBV   2  47   -1.1122    0.6421 
S  SKP  5 
ID	FL3FADCS0012 
FORMULA	C28H32O15 
EXACTMASS	608.174120354 
AVERAGEMASS	608.54468 
SMILES	OC(C1O)C(OC(O5)C(O)C(O)C(C(C)5)O)C(c(c4O)c(c(c(O)c4)2)OC(c(c3)ccc(O)c(OC)3)=CC2=O)OC(CO)1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox