Mol:FL63AAGS0007

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 32  0  0  0  0  0  0  0  0999 V2000 
   -1.2477    0.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2477   -0.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5332   -1.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1812   -0.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1812    0.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5332    0.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8957   -1.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6101   -0.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6101    0.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8957    0.6127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3246    0.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0449    0.1967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7654    0.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7654    1.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0449    1.8603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3246    1.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4549    1.8425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9621    0.6127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3246   -1.0373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5332   -1.8603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4549    0.0498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9597   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9480   -0.3767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4293    0.0498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4111    0.4041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9597   -1.0143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9480   -1.0143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9597   -0.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2452    0.3882    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 
 21 22  1  1  0  0  0 
 22 23  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 21  1  0  0  0  0 
 22 26  1  0  0  0  0 
 23 27  1  0  0  0  0 
 24 18  1  0  0  0  0 
 22 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  28  29 
M  SBL   1  1  31 
M  SMT   1  CH2OH 
M  SBV   1  31    0.0000   -0.3507 
S  SKP  5 
ID	FL63AAGS0007 
FORMULA	C20H22O9 
EXACTMASS	406.126382302 
AVERAGEMASS	406.38328 
SMILES	C(O)C(C1O)(COC1Oc(c4)cc(c3c4O)OC(C(O)C3)c(c2)ccc(O)c2)O 
M  END