Mol:FL3FECGS0010

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Copyright: ARM project http://www.metabolome.jp/
 31 34  0  0  0  0  0  0  0  0999 V2000
   -1.2473   -0.1912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2473   -1.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5328   -1.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1815   -1.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1815   -0.1912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5328    0.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8959   -1.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6104   -1.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6104   -0.1912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8959    0.2212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8959   -2.2190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3245    0.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0526   -0.1993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7807    0.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7807    1.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0526    1.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3245    1.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0526    2.2190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5444    1.5028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5328   -2.1985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9601    0.2204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9601   -1.4277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8094    1.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8299    1.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3513    0.9669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3321    0.3658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2607    0.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8094    2.1127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8299    2.0920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8299    0.9988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5444    0.5863    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
 16 18  1  0  0  0  0
 19 15  1  0  0  0  0
  3 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  1  0  0  0
 27 26  1  1  0  0  0
 27 23  1  0  0  0  0
 23 28  1  0  0  0  0
 27 21  1  0  0  0  0
 24 29  1  0  0  0  0
 24 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  30  31
M  SBL   1  1  33
M  SMT   1 CH2OH
M  SBV   1  33    0.0000    0.5168
S  SKP  5
ID	FL3FECGS0010
FORMULA	C20H18O11
EXACTMASS	434.084911418
AVERAGEMASS	434.35032
SMILES	C(O)C(C1O)(COC1Oc(c2O)cc(O3)c(C(=O)C=C3c(c4)cc(c(O)c4)O)c2O)O
M  END

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