Mol:FL63ACGS0014

From Metabolomics.JP
Jump to: navigation, search

FL63ACGS0014.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 33  0  0  0  0  0  0  0  0999 V2000 
   -1.1251   -0.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1251   -1.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4107   -1.4526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3038   -1.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3038   -0.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4107    0.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0182   -1.4526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7327   -1.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7327   -0.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0182    0.1974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4471    0.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1675   -0.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8879    0.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8879    1.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1675    1.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4471    1.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5774    1.4272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4107   -2.2756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8396    0.1974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4471   -1.4526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1675    2.2756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5002    0.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9882   -0.4847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2510   -0.1981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5397   -0.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0567    0.3267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7016   -0.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3295    0.8202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5774   -0.4851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6211   -0.6198    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 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  9 11  1  6  0  0  0 
 11 12  2  0  0  0  0 
 12 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 11  1  0  0  0  0 
 17 14  1  0  0  0  0 
  3 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
  8 20  1  1  0  0  0 
 15 21  1  0  0  0  0 
 22 23  1  1  0  0  0 
 23 24  1  1  0  0  0 
 25 24  1  1  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 22  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
 24 30  1  0  0  0  0 
 25 19  1  0  0  0  0 
S  SKP  5 
ID	FL63ACGS0014 
FORMULA	C20H22O10 
EXACTMASS	422.121296924 
AVERAGEMASS	422.38268000000005 
SMILES	c(c4)(cc(c(O)c4)O)C(O3)C(O)Cc(c13)c(cc(OC(O2)C(O)C(C(O)C2)O)c1)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox