Mol:FL4DAAGM0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
   -0.5346   -0.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1799   -1.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8943   -0.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8943    0.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1799    0.6099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5346    0.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6088   -1.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3232   -0.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3232    0.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6088    0.6099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6088   -1.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1183    0.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8434    0.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5685    0.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5685    1.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8434    1.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1183    1.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1526    0.5913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9653   -1.4184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2937    1.8641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1799   -1.8641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1079   -0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4122    0.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8060    0.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9271    0.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9732    0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5794    1.2080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4584    0.8203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.9637    0.6855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4949    0.1615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2464    0.1516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9803    1.2627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.2937    1.6578    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 
  3  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  4  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  6  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 
  6 18  1  0  0  0  0 
  8 19  1  1  0  0  0 
 15 20  1  0  0  0  0 
  2 21  1  0  0  0  0 
  1 22  1  0  0  0  0 
 23 24  1  1  0  0  0 
 24 25  1  1  0  0  0 
 26 25  1  1  0  0  0 
 26 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
 28 23  1  0  0  0  0 
 18 26  1  0  0  0  0 
 23 29  1  0  0  0  0 
 24 30  1  0  0  0  0 
 25 31  1  0  0  0  0 
 32 33  1  0  0  0  0 
 28 32  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  32  33 
M  SBL   1  1  36 
M  SMT   1 ^ CH2OH 
M  SBV   1  36    0.5219   -0.4424 
S  SKP  5 
ID	FL4DAAGM0001 
FORMULA	C22H24O11 
EXACTMASS	464.13186161 
AVERAGEMASS	464.41936000000004 
SMILES	c(c4)(ccc(c4)C(C(O)1)Oc(c2)c(c(c(C)c2OC(C(O)3)OC(CO)C(C3O)O)O)C1=O)O 
M  END