Mol:FL3FA9NCN001

From Metabolomics.JP
Jump to: navigation, search

FL3FA9NCN001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 29  0  0  0  0  0  0  0  0999 V2000 
   -0.3360   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3360   -0.2293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7840    0.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2320   -0.2293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2320   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7840   -1.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1119   -1.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5599   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5599   -0.2293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1119    0.0293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0077    0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7840    0.5463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6118    1.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1697    1.5511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6866    1.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4483    0.5115    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7520    0.0709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9876    0.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1480    0.5463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7840   -1.5511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1119   -1.4272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4976   -0.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9876    0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9876    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4976    0.8779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0077    0.5950    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 
  1  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  2  1  0  0  0  0 
  9 11  1  0  0  0  0 
  3 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 12  1  0  0  0  0 
  4 17  1  0  0  0  0 
 16 18  1  0  0  0  0 
 12 19  1  4  0  0  0 
  6 20  1  0  0  0  0 
  7 21  2  0  0  0  0 
 11 22  2  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  2  0  0  0  0 
 26 11  1  0  0  0  0 
S  SKP  8 
ID	FL3FA9NCN001 
KNApSAcK_ID	C00002339 
NAME	Ficine 
CAS_RN	2520-36-7 
FORMULA	C20H19NO4 
EXACTMASS	337.131408101 
AVERAGEMASS	337.3692 
SMILES	c(c(O)2)(C(=O)4)c(OC(=C4)c(c3)cccc3)c(c(O)c2)C(C1)(N(CC1)C)[H] 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox