Mol:FL3FAACSS002

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FL3FAACSS002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 35 38  0  0  0  0  0  0  0  0999 V2000
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   -3.0597    0.5241    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0597    1.1432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0597   -0.1780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7627   -0.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6948   -1.1652    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  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
 22 28  1  0  0  0  0
  2 23  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 30 33  2  0  0  0  0
 29  1  1  0  0  0  0
 34 35  1  0  0  0  0
 25 34  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  34  35
M  SBL   1  1  38
M  SMT   1 ^ CH2OH
M  SBV   1  38    0.5727   -0.5628
S  SKP  5
ID	FL3FAACSS002
FORMULA	C21H20O13S
EXACTMASS	512.062461416
AVERAGEMASS	512.4417
SMILES	C(C1O)(O)C(O)C(CO)OC1c(c(OS(O)(=O)=O)4)c(c(C(=O)3)c(c4)OC(=C3)c(c2)ccc(O)c2)O
M  END

</pre>

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