Mol:FLIA1AGS0012

<pre>

Copyright: ARM project http://www.metabolome.jp/
 40 44  0  0  0  0  0  0  0  0999 V2000
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    1.6412    0.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8939    1.4131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2946    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5738   -0.2662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8939   -1.0263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3880   -0.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3880   -1.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1023   -1.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8168   -1.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8168   -0.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1023    0.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6964    1.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0687    0.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4004    0.8783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6304    0.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2242    1.3539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9069    1.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3343    1.0551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5444   -1.5186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3599   -1.5103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3641   -0.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4966   -0.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  1 18  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
 18 22  1  0  0  0  0
 28 29  1  1  0  0  0
 29 30  1  1  0  0  0
 31 30  1  1  0  0  0
 31 32  1  0  0  0  0
 32 28  1  0  0  0  0
 30 33  1  0  0  0  0
 31 27  1  0  0  0  0
 29 34  1  0  0  0  0
 35 36  1  0  0  0  0
 15 35  1  0  0  0  0
 37 38  1  0  0  0  0
 24 37  1  0  0  0  0
 39 40  1  0  0  0  0
 29 39  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  35  36
M  SBL   1  1  40
M  SMT   1  OCH3
M  SBV   1  40   -0.7540    0.4353
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  37  38
M  SBL   2  1  42
M  SMT   2 ^ CH2OH
M  SBV   2  42    0.5051   -0.5464
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  39  40
M  SBL   3  1  44
M  SMT   3  CH2OH
M  SBV   3  44    0.0012   -0.5181
S  SKP  5
ID	FLIA1AGS0012
FORMULA	C27H30O13
EXACTMASS	562.168641046
AVERAGEMASS	562.5193
SMILES	O(C(C(OC(O5)C(O)C(O)(C5)CO)4)OC(CO)C(C4O)O)c(c3)cc(c1c3)OC=C(c(c2)ccc(OC)c2)C1=O
M  END

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