Mol:FL5FABGI0009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 57 62  0  0  0  0  0  0  0  0999 V2000 
   -1.9766    0.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9766   -0.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2618   -0.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5471   -0.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5471    0.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2618    0.6591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1677   -0.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8825   -0.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8825    0.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1677    0.6591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1714   -1.8087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5970    0.6590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3254    0.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0539    0.6590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0539    1.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3254    1.9209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5970    1.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6911    0.6590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6790   -1.0386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2618   -1.8165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2618    1.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9763    1.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9763    2.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2618    3.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6908    3.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.1957    0.8289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7188    0.1993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0320    0.4664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3694    0.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8509    0.9552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4517    0.6381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.6841    0.6863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.4151    0.2860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5326   -0.0731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5720   -2.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1855   -3.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9288   -2.8429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6766   -3.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0632   -2.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3198   -2.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8349   -2.4765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7265   -2.0737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.6841   -2.5649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0208   -2.1501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0208   -2.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4780   -2.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1191   -2.1735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1191   -1.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6620   -1.9885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4598   -3.1343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4956   -2.8742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4665   -2.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3810   -2.8997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.8658    1.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.2284    2.1852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7821    1.9207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7001    1.3907    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  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 
  6 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 24  1  0  0  0  0 
 23 25  1  0  0  0  0 
 26 27  1  1  0  0  0 
 27 28  1  1  0  0  0 
 29 28  1  1  0  0  0 
 29 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
 31 26  1  0  0  0  0 
 26 32  1  0  0  0  0 
 27 33  1  0  0  0  0 
 28 34  1  0  0  0  0 
 29 18  1  0  0  0  0 
 35 36  1  0  0  0  0 
 36 37  1  1  0  0  0 
 37 38  1  1  0  0  0 
 39 38  1  1  0  0  0 
 39 40  1  0  0  0  0 
 40 35  1  0  0  0  0 
 35 41  1  0  0  0  0 
 40 42  1  0  0  0  0 
 39 43  1  0  0  0  0 
 44 45  1  0  0  0  0 
 45 46  1  1  0  0  0 
 46 47  1  1  0  0  0 
 48 47  1  1  0  0  0 
 48 49  1  0  0  0  0 
 49 44  1  0  0  0  0 
 46 50  1  0  0  0  0 
 45 51  1  0  0  0  0 
 44 52  1  0  0  0  0 
 47 53  1  0  0  0  0 
 48 19  1  0  0  0  0 
 36 53  1  0  0  0  0 
 54 55  1  0  0  0  0 
 31 54  1  0  0  0  0 
 56 57  1  0  0  0  0 
 15 56  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  54  55 
M  SBL   1  1  60 
M  SMT   1 ^ CH2OH 
M  SBV   1  60    0.4141   -0.5510 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  56  57 
M  SBL   2  1  62 
M  SMT   2  OCH3 
M  SBV   2  62   -0.7283   -0.4205 
S  SKP  5 
ID	FL5FABGI0009 
FORMULA	C38H48O19 
EXACTMASS	808.278979354 
AVERAGEMASS	808.77632 
SMILES	O(C(CO)1)C(Oc(c6)c(CC=C(C)C)c(O2)c(c(O)6)C(C(OC(C(OC(O5)C(C(O)C(C5)O)O)4)OC(C(O)C4O)C)=C(c(c3)ccc(c3)OC)2)=O)C(C(O)C(O)1)O 
M  END