Mol:FL5FACGS0010

From Metabolomics.JP
Jump to: navigation, search

FL5FACGS0010.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 36 39  0  0  0  0  0  0  0  0999 V2000 
   -3.9916   -0.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9916   -0.9582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2905   -1.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5895   -0.9582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5895   -0.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2905    0.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8884   -1.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1874   -0.9582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1874   -0.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8884    0.2560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8884   -2.1328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4866    0.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2280   -0.1566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9424    0.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9424    1.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2280    1.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4866    1.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.6924    0.2559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4346   -1.4521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8024   -0.9087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3140   -1.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2535   -1.4864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1985   -1.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6872   -0.9087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7476   -1.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0057   -1.0325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0865   -0.5904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4052   -1.1011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6568    1.4934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2905   -2.0932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2280    2.3183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5460   -2.3183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3092   -2.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6924   -1.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0717   -1.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8068   -0.9025    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 
  1 18  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 20  1  0  0  0  0 
 20 26  1  0  0  0  0 
 25 27  1  0  0  0  0 
 24 28  1  0  0  0  0 
 21 19  1  0  0  0  0 
 19  8  1  0  0  0  0 
 23 22  1  1  0  0  0 
 15 29  1  0  0  0  0 
  3 30  1  0  0  0  0 
 16 31  1  0  0  0  0 
 32 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
 35 36  2  0  0  0  0 
 23 35  1  0  0  0  0 
 32 35  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  35  36 
M  SBL   1  2  38  39 
M  SMT   1 CO 
M  SBV   1  38   -0.8732   -0.1171 
M  SBV   1  39    0.4744   -0.6806 
S  SKP  5 
ID	FL5FACGS0010 
FORMULA	C23H22O13 
EXACTMASS	506.10604078999995 
AVERAGEMASS	506.41298000000006 
SMILES	c(c(C(O3)=C(C(c(c4O)c3cc(c4)O)=O)OC(C(O)2)OC(C(O)C(O)2)C(=O)OCC)1)cc(c(c1)O)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox