Mol:FL2FF9GS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
   -0.4179    0.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4179   -0.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2965   -1.2019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0110   -0.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0110    0.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2965    0.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7254   -1.2019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4399   -0.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4399    0.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7254    0.4482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1541    0.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8823    0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6104    0.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6104    1.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8823    1.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1541    1.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7254   -1.9001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1321    0.4480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2965   -2.0265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6187    0.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1741   -0.2335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5337    0.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8663    0.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3648    0.4713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0189    0.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2660    0.2479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8246   -0.1861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8561   -0.4574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2965    1.2729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6230    0.7607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.6104   -0.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8406    2.0265    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 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 20 21  1  1  0  0  0 
 21 22  1  1  0  0  0 
 23 22  1  1  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 20  1  0  0  0  0 
 20 26  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 18  1  0  0  0  0 
  6 29  1  0  0  0  0 
 30 31  2  0  0  0  0 
 30 32  1  0  0  0  0 
 25 30  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  3  30  31  32 
M  SBL   1  1  35 
M  SMT   1 ^ COOH 
M  SBV   1  35    0.6041   -0.5242 
S  SKP  5 
ID	FL2FF9GS0001 
FORMULA	C21H20O11 
EXACTMASS	448.100561482 
AVERAGEMASS	448.3769 
SMILES	C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)1)cc(O)c(C(=O)3)c1OC(C3)c(c2)cccc2)O)O 
M  END