Mol:FLIA3AGS0005

<pre>

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

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