Mol:FL3FCACS0012

<pre>

Copyright: ARM project http://www.metabolome.jp/
 41 45  0  0  0  0  0  0  0  0999 V2000
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    5.4786    2.2671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5535    2.3249    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  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  3 12  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
  9 13  1  0  0  0  0
 16 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
  2 23  1  0  0  0  0
 22 28  1  0  0  0  0
 29 30  1  1  0  0  0
 30 31  1  1  0  0  0
 32 31  1  1  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 29  1  0  0  0  0
 29 35  1  0  0  0  0
 30 36  1  0  0  0  0
 31 37  1  0  0  0  0
 32 28  1  0  0  0  0
 38 39  1  0  0  0  0
 34 38  1  0  0  0  0
 40 41  1  0  0  0  0
  1 40  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  38  39
M  SBL   1  1  43
M  SMT   1 ^ CH2OH
M  SBV   1  43    0.6509   -0.5405
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  40  41
M  SBL   2  1  45
M  SMT   2 ^ OCH3
M  SBV   2  45    0.4551   -0.7881
S  SKP  5
ID	FL3FCACS0012
FORMULA	C27H30O14
EXACTMASS	578.163555668
AVERAGEMASS	578.5187000000001
SMILES	c(c3)(OC)c(C(C(OC(O5)C(O)C(O)C(C5CO)O)4)OCC(C4O)O)c(c(c23)C(C=C(O2)c(c1)ccc(c1)O)=O)O
M  END

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