Mol:FL7AAHGL0008

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 55 60  0  0  0  0  0  0  0  0999 V2000 
   -2.2860    0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2859   -0.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4842   -1.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6821   -0.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6822    0.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4841    0.5643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1198   -1.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9217   -0.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9217    0.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1198    0.5642    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0 
    1.7233    0.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5405    0.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3579    0.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3580    1.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5405    1.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7233    1.5077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0877    0.5639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1296    1.9533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4840   -2.2134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8061   -1.3180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0347   -2.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6481   -3.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3916   -3.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.1396   -3.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5264   -2.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7827   -2.8675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1932   -2.7734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0083   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6216   -1.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3653   -1.1988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1133   -1.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5001   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7564   -0.9541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1337   -0.8154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4300   -0.3661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.3058   -0.9080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8855   -1.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.3963   -1.8654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9737   -3.1393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9599   -3.8213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.1396   -3.9772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1750    0.0923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2260   -2.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7268   -2.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0082   -2.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2590   -2.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8186   -2.0853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5528   -2.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.9078   -2.4926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4648   -2.8586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2650   -3.1038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1053   -1.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.5264   -1.3904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5405    2.6839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1770    3.9772    0.0000 C   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  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10  5  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 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 11  1  0  0  0  0 
  1 17  1  0  0  0  0 
 14 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 20  8  1  0  0  0  0 
 21 22  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 21  1  0  0  0  0 
 21 27  1  0  0  0  0 
 28 29  1  0  0  0  0 
 29 30  1  1  0  0  0 
 30 31  1  1  0  0  0 
 32 31  1  1  0  0  0 
 32 33  1  0  0  0  0 
 33 28  1  0  0  0  0 
 28 34  1  0  0  0  0 
 33 35  1  0  0  0  0 
 32 36  1  0  0  0  0 
 31 37  1  0  0  0  0 
 25 38  1  0  0  0  0 
 37 38  1  0  0  0  0 
 22 39  1  0  0  0  0 
 23 40  1  0  0  0  0 
 24 41  1  0  0  0  0 
 29 20  1  0  0  0  0 
 13 42  1  0  0  0  0 
 43 44  1  1  0  0  0 
 44 45  1  1  0  0  0 
 46 45  1  1  0  0  0 
 46 47  1  0  0  0  0 
 47 48  1  0  0  0  0 
 48 43  1  0  0  0  0 
 43 49  1  0  0  0  0 
 44 50  1  0  0  0  0 
 45 51  1  0  0  0  0 
 46 19  1  0  0  0  0 
 52 53  1  0  0  0  0 
 48 52  1  0  0  0  0 
 54 55  1  0  0  0  0 
 15 54  1  0  0  0  0 
M  CHG  1  10   1 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  52  53 
M  SBL   1  1  58 
M  SMT   1 ^ CH2OH 
M  SBV   1  58    0.5524   -0.7167 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  54  55 
M  SBL   2  1  60 
M  SMT   2  OCH3 
M  SBV   2  60    0.0000   -0.7041 
S  SKP  5 
ID	FL7AAHGL0008 
FORMULA	C34H43O21 
EXACTMASS	787.2296834379999 
AVERAGEMASS	787.6926199999999 
SMILES	OC(C(O)1)C(C(CO)OC(Oc(c62)cc(cc2[o+1]c(c(c6)OC(C(O)5)OC(C(O)C(O)5)COC(O4)C(C(C(C4C)O)O)O)c(c3)cc(c(O)c3OC)O)O)1)O 
M  END