Mol:FL3FA9NCN002

From Metabolomics.JP
Jump to: navigation, search

FL3FA9NCN002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 29  0  0  0  0  0  0  0  0999 V2000 
   -0.1001   -0.2974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1001    0.3433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6550    0.6636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2098    0.3433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2098   -0.2974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6550   -0.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4548   -0.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0096   -0.2974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0096    0.3433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4548    0.6636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6382    0.5906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7083   -0.5852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6550   -1.1239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4548   -0.9991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6353    0.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3041    0.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7936    1.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6145    1.6837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9457    1.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4561    1.3733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2924   -0.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7936   -0.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5193   -1.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8485   -1.2449    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4918   -1.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8568   -0.0309    0.0000 H   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 
  4 11  1  0  0  0  0 
  5 12  1  0  0  0  0 
  6 13  1  0  0  0  0 
  7 14  2  0  0  0  0 
  9 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20 15  1  0  0  0  0 
 12 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 12  1  0  0  0  0 
 24 25  1  0  0  0  0 
 12 26  1  4  0  0  0 
S  SKP  8 
ID	FL3FA9NCN002 
KNApSAcK_ID	C00002346 
NAME	Isoficine 
CAS_RN	2255-62-1 
FORMULA	C20H19NO4 
EXACTMASS	337.131408101 
AVERAGEMASS	337.3692 
SMILES	c(C(=O)4)(c(OC(=C4)c(c3)cccc3)1)c(c(C(C2)(N(CC2)C)[H])c(O)c1)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox