Mol:FL5F2CNP0001

From Metabolomics.JP
Jump to: navigation, search

FL5F2CNP0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 34  0  0  0  0  0  0  0  0999 V2000 
   -1.3526   -0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7210   -0.7711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4496   -1.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8096   -1.4092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4412   -0.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7127   -0.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5382   -1.9914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1018   -2.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4702   -1.5212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1987   -0.9391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8254   -2.4017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1099   -1.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3866   -2.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0388   -2.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4143   -1.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1376   -1.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4854   -1.0409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3442    0.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6157    0.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2556    0.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6241    0.3373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5270    1.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8873    1.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4328   -2.7504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0519   -2.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0403   -1.8827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5244   -2.9537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9470   -3.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2538   -0.2864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9052   -1.0341    0.0000 C   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 
  6 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21  1  1  0  0  0  0 
 20 22  1  0  0  0  0 
 20 23  1  0  0  0  0 
 14 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 15  1  0  0  0  0 
  8 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
  2 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   -2.6196   -0.6216 
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    0.5189   -0.9193 
S  SKP  8 
ID	FL5F2CNP0001 
KNApSAcK_ID	C00005085 
NAME	3,6-Dimethoxy-6'',6''-dimethyl-3',4'-methylenedioxypyrano[2,3:7,8]flavone 
CAS_RN	77970-06-0 
FORMULA	C23H20O7 
EXACTMASS	408.120902994 
AVERAGEMASS	408.40070000000003 
SMILES	c(c54)c(ccc4OCO5)C(O1)=C(C(=O)c(c3)c1c(C=2)c(c(OC)3)OC(C2)(C)C)OC 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox