Mol:FL5FACGS0083

From Metabolomics.JP
Jump to: navigation, search

FL5FACGS0083.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 52 57  0  0  0  0  0  0  0  0999 V2000 
    1.6157    2.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6157    1.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3302    1.5715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0447    1.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0447    2.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3302    3.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9014    1.5715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1869    1.9840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5276    1.5715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5276    0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1869    0.3340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9014    0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2421    1.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9565    1.5715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9565    0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2421    0.3340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1869   -0.4910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6709    1.9840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1826    0.5815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2421   -0.4910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6365    3.1506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6732    1.6211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1090    0.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1090   -0.2304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2931   -0.2079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1252    1.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6608    0.7347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7438    0.7347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2931    0.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7030    0.9934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6310    1.3989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6475   -1.8488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1482   -2.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5693   -1.3577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2933   -0.9616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4975   -0.7429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0764   -1.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4939   -1.3577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8560   -2.6271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2920   -2.5076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6106   -1.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1056   -1.7537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5696   -1.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3556   -1.6588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6159   -2.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1658   -2.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3798   -2.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1195   -2.0992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6732   -1.1088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1368   -1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4777   -2.0246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6709   -3.2214    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 
 29 23  1  1  0  0  0 
 28 23  1  1  0  0  0 
 27 29  1  1  0  0  0 
 23 24  1  0  0  0  0 
 29 25  1  0  0  0  0 
 30 27  1  0  0  0  0 
 26 31  1  0  0  0  0 
 28 30  1  0  0  0  0 
 23 26  1  0  0  0  0 
 22 27  1  0  0  0  0 
 32 33  1  1  0  0  0 
 33 34  1  1  0  0  0 
 35 34  1  1  0  0  0 
 35 36  1  0  0  0  0 
 36 37  1  0  0  0  0 
 37 32  1  0  0  0  0 
 34 38  1  0  0  0  0 
 32 39  1  0  0  0  0 
 33 40  1  0  0  0  0 
 37 41  1  0  0  0  0 
 41 42  1  0  0  0  0 
 43 44  1  0  0  0  0 
 44 45  1  1  0  0  0 
 46 45  1  1  0  0  0 
 47 46  1  1  0  0  0 
 47 48  1  0  0  0  0 
 48 43  1  0  0  0  0 
 44 49  1  0  0  0  0 
 43 50  1  0  0  0  0 
 45 51  1  0  0  0  0 
 46 52  1  0  0  0  0 
 42 47  1  0  0  0  0 
 35 19  1  0  0  0  0 
S  SKP  5 
ID	FL5FACGS0083 
FORMULA	C32H38O20 
EXACTMASS	742.1956436559999 
AVERAGEMASS	742.63212 
SMILES	C(C2O)(O)C(OC(OC(C4=O)=C(c(c6)cc(c(c6)O)OC(C(O)5)OCC5(CO)O)Oc(c43)cc(O)cc3O)C2O)COC(C1O)OC(C(C1O)O)C 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox