Mol:FL3FAACSS002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 35 38  0  0  0  0  0  0  0  0999 V2000 
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    0.7207   -1.1308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4351   -0.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    3.0612    0.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.3234    0.5238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.0597    1.1432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7105    0.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -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