Mol:056 FLIF

From Metabolomics.JP
(Redirected from Mol:056 FLID)
Jump to: navigation, search

056 FLIF.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 31  0  0  0  0  0  0  0  0999 V2000 
   -2.6739    1.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6739    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9596    0.1668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2452    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2452    1.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9596    1.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0421   -0.1631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8059   -1.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5697   -1.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5697   -0.1631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8059    0.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2842   -1.4575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0421   -0.9881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8059   -2.3109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2842    1.9697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9486    2.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1282    2.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4213    0.3114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0635    0.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4213    1.6463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2078   -0.4854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5656    1.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3006    0.1685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9317    1.0446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3896    1.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2842   -2.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5204   -2.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  1  0 
  3  4  2  0 
  5  6  2  0 
  8  9  1  0 
 10 11  1  0 
  1  2  2  0 
 10  9  2  0 
  9 12  1  0 
  7 13  1  0 
 13  8  2  0 
  8 14  1  0 
 15 16  1  0 
 16 17  2  0 
  6 17  1  0 
  1 15  1  0 
  6  1  1  0 
 18 19  1  0 
 19 20  1  0 
  5 20  1  0 
  4 18  1  0 
  5  4  1  0 
 18 21  2  0 
 24 25  1  0 
 22 25  1  0 
 11 24  1  0 
  7 23  1  0 
  7 11  2  0 
 19 22  1  0 
 19 23  1  0 
 12 26  1  0 
 14 27  1  0 
S  SKP  5 
ID	056 FLID 
FORMULA	C20H16O7 
EXACTMASS	368.089602866 
AVERAGEMASS	368.33684000000005 
SMILES	COc(c5)c(OC)cc(c45)OC(CCO4)(O1)C(=O)c(c2)c(c(c3)c(oc3)c2)1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox