Mol:FL5FCCGS0011

From Metabolomics.JP
Revision as of 09:00, 14 March 2009 by Editor (Talk | contribs)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search

FL5FCCGS0011.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 54 59  0  0  0  0  0  0  0  0999 V2000 
    2.4099    2.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6954    2.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6954    3.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4099    3.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1244    3.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1244    2.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9811    2.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2666    2.5591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4479    2.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4479    1.3216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2666    0.9091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9811    1.3216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1623    2.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8768    2.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8768    1.3216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1623    0.9091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2666    0.0842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5912    2.5591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6954    0.9091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1623    0.0842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8389    3.7965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4099    4.6215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2873    2.1572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2759   -1.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5370   -1.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8885   -0.6605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5713   -0.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7582   -0.0553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4068   -0.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3997   -0.4829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0772   -0.8493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3601   -0.8456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1957   -1.9226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7632   -0.6162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6182   -1.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0877   -1.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3379   -1.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5171   -1.6129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0474   -0.9806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7974   -1.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1678   -0.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7851   -0.5185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5542   -0.8572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8389   -1.8749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8023   -2.0353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6467   -3.5611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2384   -4.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0331   -3.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4492   -2.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8573   -2.1787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0627   -2.9780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0535   -3.1283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7287   -4.6215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7652   -4.2807    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 
  2  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12  7  2  0  0  0  0 
  9 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 10  1  0  0  0  0 
 14 18  1  0  0  0  0 
 11 17  2  0  0  0  0 
 12 19  1  0  0  0  0 
 16 20  1  0  0  0  0 
  5 21  1  0  0  0  0 
  4 22  1  0  0  0  0 
 18 23  1  0  0  0  0 
 24 25  1  1  0  0  0 
 25 26  1  1  0  0  0 
 27 26  1  1  0  0  0 
 27 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
 29 24  1  0  0  0  0 
 29 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
 24 32  1  0  0  0  0 
 25 33  1  0  0  0  0 
 26 34  1  0  0  0  0 
 27 19  1  0  0  0  0 
 35 36  1  1  0  0  0 
 36 37  1  1  0  0  0 
 38 37  1  1  0  0  0 
 38 39  1  0  0  0  0 
 39 40  1  0  0  0  0 
 40 35  1  0  0  0  0 
 40 41  1  0  0  0  0 
 41 42  1  0  0  0  0 
 35 43  1  0  0  0  0 
 36 44  1  0  0  0  0 
 37 45  1  0  0  0  0 
 38 31  1  0  0  0  0 
 46 47  1  0  0  0  0 
 47 48  1  1  0  0  0 
 49 48  1  1  0  0  0 
 50 49  1  1  0  0  0 
 50 51  1  0  0  0  0 
 51 46  1  0  0  0  0 
 46 52  1  0  0  0  0 
 47 53  1  0  0  0  0 
 48 54  1  0  0  0  0 
 49 33  1  0  0  0  0 
S  SKP  5 
ID	FL5FCCGS0011 
FORMULA	C33H40O21 
EXACTMASS	772.206208342 
AVERAGEMASS	772.6581 
SMILES	C(O)(C1OC(C3O)C(O)C(OC3OC(=C5c(c6)ccc(O)c6O)C(c(c4O)c(O5)cc(OC)c4)=O)COC(O2)C(O)C(C(C2CO)O)O)C(C(CO1)O)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox