Mol:FL7AACGO0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 33  0  0  0  0  0  0  0  0999 V2000 
   -3.1761   -0.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1761   -1.0315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4749   -1.4364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7736   -1.0315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7736   -0.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4749    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0724   -1.4364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3711   -1.0315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3711   -0.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0724    0.1830    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0 
    0.3299    0.1829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0447   -0.2297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7594    0.1829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7594    1.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0447    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3299    1.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4739    1.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8771    0.1829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4749   -2.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3556   -1.5738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5427   -0.9719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1219   -1.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9311   -1.4695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7451   -1.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1658   -0.9719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3568   -1.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9689   -1.0589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8356   -0.7513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8771   -1.1800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0447    2.2458    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  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  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 
 14 17  1  0  0  0  0 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
  8 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 20  1  0  0  0  0 
 15 30  1  0  0  0  0 
M  CHG  1  10   1 
S  SKP  5 
ID	FL7AACGS0002 
FORMULA	C20H19O10 
EXACTMASS	419.097821828 
AVERAGEMASS	419.35886000000005 
SMILES	C(O1)(Oc(c(c(c4)cc(c(O)c4)O)3)cc(c2[o+1]3)c(cc(O)c2)O)C(O)C(C(O)C1)O 
M  END