Mol:FLIDWXNS0006

From Metabolomics.JP
Jump to: navigation, search

FLIDWXNS0006.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 27  0  0  0  0  0  0  0  0999 V2000 
   -2.4612    1.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4612    0.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9049    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3486    0.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3486    1.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9049    1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7923    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2359    0.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2359    1.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7923    1.3517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3201    0.0671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3201   -0.6197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9149   -0.9631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5097   -0.6197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5097    0.0671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9149    0.4105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7864   -0.6195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9149   -1.6492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8184    1.6492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3184    2.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1039    0.4101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8184   -0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3757   -1.1197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2418   -1.6197    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 
 13 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 15 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 14 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  23  24 
M  SBL   3  1  26 
M  SMT   3  OCH3 
M  SVB   3 26    1.7467    -0.826 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  21  22 
M  SBL   2  1  24 
M  SMT   2  OCH3 
M  SVB   2 24    2.1039    0.4101 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  19  20 
M  SBL   1  1  22 
M  SMT   1  OCH3 
M  SVB   1 22   -2.8184    1.6492 
S  SKP  8 
ID	FLIDWXNS0006 
KNApSAcK_ID	C00009698 
NAME	Bryacarpene 2;10-Hydroxy-3,8,9-trimethoxypterocarpene 
CAS_RN	55306-15-5 
FORMULA	C18H16O6 
EXACTMASS	328.094688244 
AVERAGEMASS	328.31604 
SMILES	c(c4OC)c(c3c(c4OC)O)c(c(o3)2)COc(c21)cc(OC)cc1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox