Mol:FLIA3AGS0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 33  0  0  0  0  0  0  0  0999 V2000 
   -3.3453    0.3698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6306   -0.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9159    0.3698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2014   -0.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2014   -0.8982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4604   -1.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2805   -0.8982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2805   -0.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4604    0.3851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6303   -0.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9159   -1.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4555   -2.1437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0211   -1.3258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0211   -2.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7294   -2.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4378   -2.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4378   -1.3258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7294   -0.9169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2212    2.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1295    2.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4503    2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9066    1.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0760    2.4015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7601    2.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8199    3.4283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.6631    2.6355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3365    1.3936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9262    1.3276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5505   -2.7859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6631   -3.4283    0.0000 C   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  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9  4  1  0  0  0  0 
  2 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11  5  1  0  0  0  0 
  6 12  2  0  0  0  0 
  7 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 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 13  1  0  0  0  0 
 19 20  1  1  0  0  0 
 20 21  1  1  0  0  0 
 22 21  1  1  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 19  1  0  0  0  0 
 19 25  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 
 28  3  1  0  0  0  0 
 29 30  1  0  0  0  0 
 16 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  OCH3 
M  SBV   1  33   -1.1127    0.6422 
S  SKP  5 
ID	FLIA3AGS0005 
FORMULA	C21H20O9 
EXACTMASS	416.11073223799997 
AVERAGEMASS	416.37809999999996 
SMILES	c(c4)c(ccc(OC)4)C(C(=O)1)=COc(c2OC(O3)C(O)C(C(O)C3)O)c1ccc(O)2 
M  END