Mol:FL3FACDS0011

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 54 59  0  0  0  0  0  0  0  0999 V2000 
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  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 
  1 12  1  0  0  0  0 
  3 13  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 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 14  1  0  0  0  0 
  9 14  1  0  0  0  0 
 17 20  1  0  0  0  0 
 21 22  1  1  0  0  0 
 22 23  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 21  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
 24  2  1  0  0  0  0 
 30 31  1  1  0  0  0 
 31 32  1  1  0  0  0 
 33 32  1  1  0  0  0 
 33 34  1  0  0  0  0 
 34 35  1  0  0  0  0 
 35 30  1  0  0  0  0 
 30 36  1  0  0  0  0 
 31 37  1  0  0  0  0 
 32 38  1  0  0  0  0 
 33 29  1  0  0  0  0 
 39 40  1  1  0  0  0 
 40 41  1  1  0  0  0 
 42 41  1  1  0  0  0 
 42 43  1  0  0  0  0 
 43 44  1  0  0  0  0 
 44 39  1  0  0  0  0 
 39 45  1  0  0  0  0 
 40 46  1  0  0  0  0 
 41 47  1  0  0  0  0 
 20 42  1  0  0  0  0 
 16 48  1  0  0  0  0 
 49 50  1  0  0  0  0 
 35 49  1  0  0  0  0 
 51 52  1  0  0  0  0 
 26 51  1  0  0  0  0 
 53 54  1  0  0  0  0 
 44 53  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  49  50 
M  SBL   1  1  55 
M  SMT   1 ^ CH2OH 
M  SBV   1  55    0.5295   -0.5295 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  51  52 
M  SBL   2  1  57 
M  SMT   2 ^ CH2OH 
M  SBV   2  57    0.5906   -0.5906 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  53  54 
M  SBL   3  1  59 
M  SMT   3  CH2OH 
M  SBV   3  59   -0.3329   -0.5766 
S  SKP  5 
ID	FL3FACDS0011 
FORMULA	C33H40O21 
EXACTMASS	772.206208342 
AVERAGEMASS	772.6581 
SMILES	OC(C1OC(C(O)6)OC(CO)C(C(O)6)O)C(O)C(CO)OC1c(c(O)2)c(cc(O3)c2C(=O)C=C3c(c4)ccc(OC(O5)C(C(C(C5CO)O)O)O)c4O)O 
M  END
Mol:FL3FACDS0011

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