Mol:FL5FFAGS0008

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
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   -1.9921   -2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2776   -2.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5632   -2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5632   -1.1911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2776   -0.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1513   -2.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8657   -2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8657   -1.1911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1513   -0.7786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1513   -3.2008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5799   -0.7787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3081   -1.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0362   -0.7787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0362    0.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3081    0.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5799    0.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.2776   -3.2184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6582    0.5976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8126    2.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1780    1.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.0912    0.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8812    1.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5663    1.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4821    2.9049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.9405    0.3024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2776    0.0461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4097    2.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9395    3.2184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3502    2.3008    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 
  8 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
 21 15  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 27  1  0  0  0  0 
 27 22  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
 24 30  1  0  0  0  0 
  6 31  1  0  0  0  0 
 31 25  1  0  0  0  0 
 32 33  2  0  0  0  0 
 32 34  1  0  0  0  0 
 27 32  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  3  32  33  34 
M  SBL   1  1  37 
M  SMT   1 COOH 
M  SBV   1  37   -0.1566   -0.6636 
S  SKP  5 
ID	FL5FFAGS0008 
FORMULA	C21H18O13 
EXACTMASS	478.07474066199995 
AVERAGEMASS	478.35982 
SMILES	C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)3)c(c(c(c3)O)2)OC(=C(C2=O)O)c(c1)ccc(O)c1)O)O 
M  END