Mol:FLIDWXNS0008

From Metabolomics.JP
Jump to: navigation, search

FLIDWXNS0008.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 28  0  0  0  0  0  0  0  0999 V2000 
   -2.4612    0.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4612    0.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9049    0.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3486    0.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3486    0.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9049    1.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7923    0.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2359    0.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2359    0.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7923    1.3006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3201    0.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3201   -0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9149   -1.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5097   -0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5097    0.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9149    0.3594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7864   -0.6705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1039    0.3591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8184   -0.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8184    1.5982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3184    2.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4976   -1.1857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2120   -1.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3757   -1.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2418   -1.6708    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  2  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 
  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 
  7 17  1  0  0  0  0 
  1  2  1  0  0  0  0 
 12 17  1  0  0  0  0 
 15 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
  1 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 13 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 14 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  24  25 
M  SBL   4  1  27 
M  SMT   4  OCH3 
M  SVB   4 27    1.7467    -0.877 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  22  23 
M  SBL   3  1  25 
M  SMT   3  OCH3 
M  SVB   3 25    0.4976   -1.1857 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  20  21 
M  SBL   2  1  23 
M  SMT   2  OCH3 
M  SVB   2 23   -2.8184    1.5982 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  18  19 
M  SBL   1  1  21 
M  SMT   1  OCH3 
M  SVB   1 21    2.1039    0.3591 
S  SKP  8 
ID	FLIDWXNS0008 
KNApSAcK_ID	C00009700 
NAME	Bryacarpene 3;3,8,9,10-Tetramethoxypterocarpene 
CAS_RN	55306-17-7 
FORMULA	C19H18O6 
EXACTMASS	342.110338308 
AVERAGEMASS	342.34262 
SMILES	c(c1OC)c(c24)c(oc(c(c3OC4)ccc(OC)c3)2)c(c1OC)OC 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox