Mol:FL5FAAGL0036

From Metabolomics.JP
Jump to: navigation, search

FL5FAAGL0036.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 53 58  0  0  0  0  0  0  0  0999 V2000 
   -2.1684    1.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1684    0.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4673    0.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7663    0.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7663    1.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4673    1.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0653    0.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6357    0.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6357    1.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0653    1.9016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0653   -0.3485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3365    1.9015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0510    1.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7655    1.9015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7655    2.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0510    3.1390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3365    2.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4673   -0.5266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8691    1.9015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4797    3.1388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4432    0.1960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0437   -0.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1976   -0.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4661   -1.3829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1976   -2.3280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0437   -2.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7753   -1.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8831   -0.1898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3703   -2.4465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4805    0.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2094   -0.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9041    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6501    0.5918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9607    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3783    0.4501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6091   -0.2282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7352    0.0644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0968    0.8887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4294    2.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6378    1.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8890    2.5132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6378    3.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4294    3.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1783    2.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1871    4.4717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7200    4.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7859    3.4538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.0968    2.0757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8495   -3.4068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7129    1.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1643    2.4422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1779   -3.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1180   -4.4717    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 
  3 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
  8 21  1  0  0  0  0 
 22 23  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 22  1  0  0  0  0 
 22 28  1  0  0  0  0 
 27 29  1  0  0  0  0 
 23 21  1  0  0  0  0 
 30 31  1  1  0  0  0 
 31 32  1  1  0  0  0 
 33 32  1  1  0  0  0 
 33 34  1  0  0  0  0 
 34 35  1  0  0  0  0 
 35 30  1  0  0  0  0 
 31 36  1  0  0  0  0 
 32 37  1  0  0  0  0 
 28 30  1  0  0  0  0 
 33 38  1  0  0  0  0 
 40 39  1  1  0  0  0 
 40 41  1  0  0  0  0 
 41 42  1  0  0  0  0 
 42 43  1  0  0  0  0 
 43 44  1  1  0  0  0 
 44 39  1  1  0  0  0 
 43 45  1  0  0  0  0 
 42 46  1  0  0  0  0 
 44 47  1  0  0  0  0 
 39 48  1  0  0  0  0 
 40 19  1  0  0  0  0 
 26 49  1  0  0  0  0 
 50 51  1  0  0  0  0 
 34 50  1  0  0  0  0 
 52 53  1  0  0  0  0 
 25 52  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  50  51 
M  SBL   1  1  56 
M  SMT   1  CH2OH 
M  SBV   1  56   -0.7522   -0.3177 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  52  53 
M  SBL   2  1  58 
M  SMT   2 ^ CH2OH 
M  SBV   2  58    0.0197    0.8849 
S  SKP  5 
ID	FL5FAAGL0036 
FORMULA	C33H40O20 
EXACTMASS	756.21129372 
AVERAGEMASS	756.6587 
SMILES	O(C(O6)C(C(O)C(C(CO)6)O)OC(O5)C(C(O)C(C(CO)5)O)O)C(=C3c(c4)ccc(O)c4)C(=O)c(c(O3)1)c(cc(OC(C2O)OC(C)C(C2O)O)c1)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox