Mol:FL4DACGS0028

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
   -2.5040    1.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7838    1.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5128    0.3953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7999   -0.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0843    0.3773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0730    1.2022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3712   -0.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3469    0.3616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3537    1.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3529    1.6049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0920    1.6024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1009    2.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8201    2.8335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5285    2.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5221    1.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8021    1.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3861   -0.8700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2123    1.6374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0354   -0.0358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2123    1.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1981    2.8011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9289   -2.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1127   -2.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2193   -1.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8899   -0.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0738   -0.8316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2584   -1.5869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4392   -1.5310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6471   -2.8335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3142   -2.2175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7999   -0.7956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  1  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  2  1  0  0  0  0 
  5  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  6  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 
  7 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
  8 19  1  6  0  0  0 
 15 20  1  0  0  0  0 
 14 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 27  1  0  0  0  0 
 27 22  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
 24 30  1  0  0  0  0 
 25 19  1  0  0  0  0 
  4 31  1  0  0  0  0 
S  SKP  5 
ID	FL4DACGS0028 
FORMULA	C20H20O11 
EXACTMASS	436.100561482 
AVERAGEMASS	436.3662 
SMILES	C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)C(Oc(c3)c2c(cc(O)3)O)c(c1)cc(c(O)c1)O 
M  END