Mol:FL63ACGS0009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 33  0  0  0  0  0  0  0  0999 V2000 
   -1.7407    0.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7407   -0.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0263   -0.6713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3118   -0.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3118    0.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0263    0.9787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4026   -0.6713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1171   -0.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1171    0.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4026    0.9787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8315    0.9787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5519    0.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2723    0.9787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2723    1.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.8315   -0.6713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0263   -1.4943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5519    3.0571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5746   -2.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9165   -2.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0678   -2.4572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.5309   -1.6763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.0678   -3.0383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9165   -2.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9618   -1.7331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  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  6  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 
 17 14  1  0  0  0  0 
  1 18  1  0  0  0  0 
  8 19  1  1  0  0  0 
  3 20  1  0  0  0  0 
 15 21  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 22  1  0  0  0  0 
 23 27  1  0  0  0  0 
 24 28  1  0  0  0  0 
 25 20  1  0  0  0  0 
 29 30  1  0  0  0  0 
 23 29  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  33 
M  SMT   1  CH2OH 
M  SBV   1  33    0.0000   -0.3896 
S  SKP  5 
ID	FL63ACGS0009 
FORMULA	C20H22O10 
EXACTMASS	422.121296924 
AVERAGEMASS	422.38268000000005 
SMILES	C(O)C(C1O)(COC1Oc(c4)c(c(cc(O)4)2)CC(C(c(c3)cc(c(O)c3)O)O2)O)O 
M  END