Mol:FL4DA9NI0001

From Metabolomics.JP
Jump to: navigation, search

FL4DA9NI0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -0.7968   -0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2759   -0.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2450   -0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2450    0.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2759    0.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7968    0.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7659   -0.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2868   -0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2868    0.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7659    0.4393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8071    0.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7659   -1.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3415    0.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8759    0.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8759    1.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3415    1.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8071    1.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3171    0.4390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3171   -0.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8375   -0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3567   -0.7627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8759   -0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3567   -1.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8071   -0.7634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2759   -1.3645    0.0000 O   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  6  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 
  1 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21 22  1  0  0  0  0 
 21 23  1  0  0  0  0 
  8 24  1  1  0  0  0 
  2 25  1  0  0  0  0 
S  SKP  8 
ID	FL4DA9NI0001 
KNApSAcK_ID	C00008607 
NAME	Glepidotin B 
CAS_RN	87440-56-0 
FORMULA	C20H20O5 
EXACTMASS	340.13107375 
AVERAGEMASS	340.3698 
SMILES	C(c(c3O)c(O)cc(c32)OC(C(C2=O)O)c(c1)cccc1)C=C(C)C 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox