Mol:FL3FALGS0007

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Copyright: ARM project http://www.metabolome.jp/
 34 37  0  0  0  0  0  0  0  0999 V2000
   -0.6846    1.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6846    0.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0299   -0.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7443    0.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7443    1.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0299    1.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3991   -0.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1136    0.2380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8280   -0.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8280   -0.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1136   -1.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2570   -0.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5425   -1.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0299   -0.8909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2762    1.3701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0299    2.1302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5693    1.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8055    0.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5713    0.4761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0719    0.4405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9242    0.6689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2192   -0.2482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8466    1.5121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9821   -0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9714   -0.8485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3612   -1.4865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
  9 13  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 10  1  0  0  0  0
 14 18  1  0  0  0  0
 11 17  2  0  0  0  0
 16 19  1  0  0  0  0
  3 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  1  0  0  0
 26 25  1  1  0  0  0
 27 26  1  1  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  1  0  0  0  0
 23 31  1  0  0  0  0
 24 21  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 26 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   -0.9083    0.5244
S  SKP  5
ID	FL3FALGS0007
FORMULA	C21H18O13
EXACTMASS	478.07474066199995
AVERAGEMASS	478.35982
SMILES	C(C(C(O)=O)1)(O)C(C(C(Oc(c2)c(O)cc(C(=C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)c(O)2)O1)O)O
M  END

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