Mol:FL7ABINS0001

From Metabolomics.JP
Jump to: navigation, search

FL7ABINS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -1.4343   -1.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4308   -0.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1455   -1.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7197   -1.4429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7128    0.2095    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0 
   -2.1455    0.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8599   -1.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1419   -2.2674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0017   -1.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0017   -0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8599   -0.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8531   -2.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7095   -1.4498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7197    0.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5744    0.2130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4308   -0.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7197    1.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1488    0.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4377    1.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1522    1.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8564   -0.2199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4411    2.2639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8633    1.4325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5744    0.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7265    2.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0 
  1  3  1  0 
  1  4  1  0 
  2  5  1  0 
  2  6  1  0 
  3  7  2  0 
  3  8  1  0 
  4  9  2  0 
  5 10  2  0 
  6 11  2  0 
  8 12  1  0 
  9 13  1  0 
 10 14  1  0 
 11 15  1  0 
 14 16  2  0 
 14 17  1  0 
 16 18  1  0 
 17 19  2  0 
 18 20  2  0 
 18 21  1  0 
 19 22  1  0 
 20 23  1  0 
 21 24  1  0 
 22 25  1  0 
  7 11  1  0 
  9 10  1  0 
 19 20  1  0 
M  CHG  1   5   1 
S  SKP  7 
ID	FL7ABINS0001 
NAME	Capensinidin 
CAS_RN	19077-85-1 
FORMULA	C18H17O7 
EXACTMASS	345.097427898 
AVERAGEMASS	 
SMILES	 
AVERAGEMASS	345.32338000000004 
SMILES	COc(c1)c(O)c(OC)cc1c([o+1]2)c(O)cc(c(OC)3)c(cc(O)c3)2 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox