Mol:FL1C1CNI0002

From Metabolomics.JP
Jump to: navigation, search

FL1C1CNI0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 40 41  0  0  0  0  0  0  0  0999 V2000 
   -0.0108   -0.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0108   -1.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7037   -1.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4181   -1.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4181   -0.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7037    0.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1326   -1.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1326   -2.4303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8471   -1.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8471   -0.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5616    0.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2759   -0.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9933    0.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0121    0.8317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3009    1.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5802    0.8588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.7266    1.2442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7037   -2.4303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7253    0.0447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.7078   -0.4057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7253   -1.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4397   -1.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1542   -1.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1542   -2.4303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8687   -1.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5831   -1.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2976   -1.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.0121   -1.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.0121   -2.4303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.7266   -1.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2907    2.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5763    2.4303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8618    2.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8618    1.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1473    2.4303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4329    2.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7184    2.4303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0039    2.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0039    1.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7106    2.4303    0.0000 C   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  2  0  0  0  0 
  7  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  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 
 14 17  1  0  0  0  0 
  3 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 13 20  1  0  0  0  0 
  2 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 24  1  0  0  0  0 
 23 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  2  0  0  0  0 
 28 29  1  0  0  0  0 
 28 30  1  0  0  0  0 
 31 32  1  0  0  0  0 
 32 33  2  0  0  0  0 
 33 34  1  0  0  0  0 
 33 35  1  0  0  0  0 
 35 36  1  0  0  0  0 
 36 37  1  0  0  0  0 
 37 38  2  0  0  0  0 
 38 39  1  0  0  0  0 
 38 40  1  0  0  0  0 
 15 31  1  0  0  0  0 
S  SKP  8 
ID	FL1C1CNI0002 
KNApSAcK_ID	C00014485 
NAME	5,3'-Digeranyl-3,4,2',4'-tetrahydroxychalcone;Prorepensin 
CAS_RN	441772-63-0 
FORMULA	C35H44O5 
EXACTMASS	544.318874518 
AVERAGEMASS	544.72086 
SMILES	c(CC=C(C)CCC=C(C)C)(c1)c(c(O)cc1C=CC(c(c2O)ccc(O)c2CC=C(CCC=C(C)C)C)=O)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox