Mol:FL5FAGGS0002

From Metabolomics.JP
Jump to: navigation, search

FL5FAGGS0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
   -3.0623   -0.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0623   -1.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3610   -1.4365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6597   -1.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6597   -0.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3610    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9583   -1.4365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2570   -1.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2570   -0.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9583    0.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9583   -2.0679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4440    0.1829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1589   -0.2297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8737    0.1829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8737    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1589    1.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4440    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7634    0.1829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5600   -1.7253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8781   -1.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3893   -1.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3291   -1.6837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2744   -1.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7634   -1.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8236   -1.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1897   -1.2703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1032   -0.9345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6829   -0.2635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5882    1.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3610   -2.2460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1589    2.2460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5882   -0.2297    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 
 14 32  1  0  0  0  0 
S  SKP  5 
ID	FL5FAGGS0002 
FORMULA	C20H18O12 
EXACTMASS	450.07982604 
AVERAGEMASS	450.34972 
SMILES	C(=C3OC(O4)C(O)C(C(O)C4)O)(Oc(c2)c(C3=O)c(cc(O)2)O)c(c1)cc(O)c(O)c(O)1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox