Mol:FL2FACNP0006

From Metabolomics.JP
Jump to: navigation, search

FL2FACNP0006.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 36 39  0  0  0  0  0  0  0  0999 V2000 
   -2.0876   -0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5667   -1.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0458   -0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0458   -0.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5667    0.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0876   -0.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5249   -1.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0040   -0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0040   -0.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5249    0.0006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5164    0.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5249   -1.7262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0507   -0.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5851    0.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5851    0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0507    0.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5164    0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6084    0.0006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5667   -1.8032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1194    0.9258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5667    0.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0870    0.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6079   -1.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1283   -0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1194   -0.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6538    0.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0870    1.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6074    1.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5667    1.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0507    1.5418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1283   -0.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5796    0.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7195   -0.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1873   -0.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7195   -0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1873   -0.9223    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 
  3  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  4  1  0  0  0  0 
  9 11  1  0  0  0  0 
  7 12  2  0  0  0  0 
 11 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 11  1  0  0  0  0 
  6 18  1  0  0  0  0 
  2 19  1  0  0  0  0 
 20 15  1  0  0  0  0 
  5 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  1 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 14 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 22 27  2  0  0  0  0 
 27 28  1  0  0  0  0 
 27 29  1  0  0  0  0 
 16 30  1  0  0  0  0 
 18 31  1  0  0  0  0 
 31 24  1  0  0  0  0 
 31 32  1  0  0  0  0 
 31 33  1  0  0  0  0 
 26 34  2  0  0  0  0 
 34 35  1  0  0  0  0 
 34 36  1  0  0  0  0 
S  SKP  8 
ID	FL2FACNP0006 
KNApSAcK_ID	C00008475 
NAME	Amoridin 
CAS_RN	119347-05-6 
FORMULA	C30H34O6 
EXACTMASS	490.23553882 
AVERAGEMASS	490.58736000000005 
SMILES	c(c34)(C=CC(C)(C)O4)c(O)c(c(c3CC=C(C)C)1)C(CC(c(c2)cc(c(c(O)2)O)CC=C(C)C)O1)=O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox