Mol:FL3FAAGS0010

<pre>

Copyright: ARM project http://www.metabolome.jp/
 32 35  0  0  0  0  0  0  0  0999 V2000
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   -0.6352   -1.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -1.6129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7935   -1.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7935   -0.3755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    0.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5079   -1.6129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2224   -1.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2224   -0.3755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5079    0.0370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5079   -2.3945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9364    0.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6645   -0.3836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3926    0.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3926    0.8775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6645    1.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9364    0.8775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1204    1.2978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2585   -0.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0291    0.3451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1204   -0.6736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4235   -0.9840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3478    1.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3478    2.4374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6113    2.2051    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
  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
  3 19  1  0  0  0  0
 15 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 18  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 26 30  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  30  31  32
M  SBL   1  1  35
M  SMT   1 ^ COOH
M  SBV   1  35    0.5538   -1.1608
S  SKP  5
ID	FL3FAAGS0010
FORMULA	C21H18O11
EXACTMASS	446.084911418
AVERAGEMASS	446.36102
SMILES	C(C(Oc(c4)cc(c(c4O)3)OC(=CC(=O)3)c(c2)ccc(O)c2)1)(O)C(O)C(C(C(O)=O)O1)O
M  END

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