Mol:FLIAECNP0001

From Metabolomics.JP
Jump to: navigation, search

FLIAECNP0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 34  0  0  0  0  0  0  0  0999 V2000 
   -1.9657    0.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9657   -0.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4094   -0.7609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8531   -0.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8531    0.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4094    0.5238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2968   -0.7609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2595   -0.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2595    0.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2968    0.5238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8156   -0.7608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8156   -1.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4104   -1.7910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0051   -1.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0051   -0.7608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4104   -0.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2968   -1.4030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6583   -1.6598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0620   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6583   -0.5486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5218    0.5237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4094    1.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9655    1.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5218    1.1662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5218    1.7910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0620    0.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6802   -0.3483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6721   -0.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4094   -1.7609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4094   -2.7609    0.0000 C   0  0  0  0  0  0  0  0  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 
  8 11  1  0  0  0  0 
 11 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 11  2  0  0  0  0 
  1  2  1  0  0  0  0 
  7 17  2  0  0  0  0 
 14 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 15  1  0  0  0  0 
  1 21  1  0  0  0  0 
  6 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 24  1  0  0  0  0 
 24 21  1  0  0  0  0 
 24 25  1  0  0  0  0 
 24 26  1  0  0  0  0 
  2 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
  3 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  29  30 
M  SBL   2  1  33 
M  SMT   2  OCH3 
M  SVB   2 33   -1.8459   -0.9214 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  27  28 
M  SBL   1  1  31 
M  SMT   1  OCH3 
M  SVB   1 31   -2.6802   -0.3483 
S  SKP  8 
ID	FLIAECNP0001 
KNApSAcK_ID	C00009913 
NAME	5-Methoxydurmillone;5,6-Dimethoxy-3',4'methylenedioxy-6'',6''-dimethylpyrano[2'',3'':7,8]isoflavone 
CAS_RN	124596-67-4 
FORMULA	C23H20O7 
EXACTMASS	408.120902994 
AVERAGEMASS	408.40070000000003 
SMILES	CC(C)(O5)C=Cc(c51)c(O2)c(C(=O)C(c(c4)cc(O3)c(c4)OC3)=C2)c(OC)c1OC 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox