Mol:FL2FAAGS0009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
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   -3.9717   -1.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2573   -1.4780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5428   -1.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5428   -0.2405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2573    0.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.1139   -1.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1139   -0.2405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8283    0.1720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3997    0.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3285   -0.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.7849    1.4331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2573   -2.3027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0104    1.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6659    1.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3284    1.2525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9948    1.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3394    1.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6768    1.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3706    1.6599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9362    1.9199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3394    2.3027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6862    1.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6587   -0.2207    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  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 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 11  1  0  0  0  0 
  7 17  2  0  0  0  0 
 18  1  1  0  0  0  0 
 14 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  1  0  0  0 
 23 24  1  1  0  0  0 
 25 24  1  1  0  0  0 
 25 26  1  0  0  0  0 
 26 21  1  0  0  0  0 
 21 27  1  0  0  0  0 
 26 28  1  0  0  0  0 
 25 29  1  0  0  0  0 
 22 19  1  0  0  0  0 
 30 31  1  0  0  0  0 
 24 30  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  34 
M  SMT   1  CH2OH 
M  SBV   1  34   -0.6914    0.0000 
S  SKP  5 
ID	FL2FAAGS0009 
FORMULA	C21H22O10 
EXACTMASS	434.121296924 
AVERAGEMASS	434.39338 
SMILES	c(c1C(C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)cc(OC(O2)C(O)C(O)C(O)C2CO)cc1 
M  END