Mol:FL5FADGA0012

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 55 60  0  0  0  0  0  0  0  0999 V2000 
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    0.3819    1.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0964    1.5643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8108    1.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8108    2.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0964    3.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.0925   -0.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9060    0.1757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7243   -0.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1475    0.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3340    0.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7931    0.6291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    3.0620    1.3259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    3.7101   -0.5223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1383   -1.9733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1536   -2.3676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4005   -2.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3879    3.2448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8060   -4.2756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2685   -4.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5914   -3.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1642   -2.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2398   -2.7614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0447   -3.6662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8649   -3.8696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.1056    3.8550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6618    4.9858    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 
  9 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 
  8 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  1  0  0  0 
 23 24  1  1  0  0  0 
 25 24  1  1  0  0  0 
 25 26  1  0  0  0  0 
 26 21  1  0  0  0  0 
 21 27  1  0  0  0  0 
 28 29  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 28  1  0  0  0  0 
 28 34  1  0  0  0  0 
 33 35  1  0  0  0  0 
 32 36  1  0  0  0  0 
 31 37  1  0  0  0  0 
 25 38  1  0  0  0  0 
 37 38  1  0  0  0  0 
 22 39  1  0  0  0  0 
 23 40  1  0  0  0  0 
 24 41  1  0  0  0  0 
 29 19  1  0  0  0  0 
 42 15  1  0  0  0  0 
 43 44  1  1  0  0  0 
 44 45  1  1  0  0  0 
 46 45  1  1  0  0  0 
 46 47  1  0  0  0  0 
 47 48  1  0  0  0  0 
 48 43  1  0  0  0  0 
 43 49  1  0  0  0  0 
 44 50  1  0  0  0  0 
 45 51  1  0  0  0  0 
 46 39  1  0  0  0  0 
 52 53  1  0  0  0  0 
 48 52  1  0  0  0  0 
 54 55  1  0  0  0  0 
 16 54  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  52  53 
M  SBL   1  1  58 
M  SMT   1 ^ CH2OH 
M  SBV   1  58    0.8005   -0.2087 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  54  55 
M  SBL   2  1  60 
M  SMT   2  OCH3 
M  SBV   2  60   -0.0092   -0.6407 
S  SKP  5 
ID	FL5FADGA0012 
FORMULA	C34H42O21 
EXACTMASS	786.2218584059999 
AVERAGEMASS	786.68468 
SMILES	c(c(O)6)c(c(c4c6)C(C(=C(c(c5)cc(OC)c(c5)O)O4)OC(C3O)OC(C(C3O)O)COC(O2)C(O)C(C(C2C)OC(C(O)1)OC(C(O)C1O)CO)O)=O)O 
M  END