Mol:FL5FA9NS0008

From Metabolomics.JP
Jump to: navigation, search

FL5FA9NS0008.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
   -2.0689   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0689   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5126   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9563   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9563   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5126    0.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4000   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1563   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1563   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4000    0.1844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4000   -1.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7124    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2794   -0.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8463    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8463    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2794    1.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7124    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7124   -1.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6250    0.1843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5126   -1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7123   -0.3157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5783   -0.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5628    1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2772    1.3299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  4  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  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
 12 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 12  1  0  0  0  0 
  8 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
 14 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 16 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  25 
M  SMT   2  OCH3 
M  SVB   2 25    1.5628    1.7424 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  23 
M  SMT   1  OCH3 
M  SVB   1 23    1.9105    -0.022 
S  SKP  8 
ID	FL5FA9NS0008 
KNApSAcK_ID	C00004656 
NAME	Morelosin 
CAS_RN	62008-19-9 
FORMULA	C17H14O7 
EXACTMASS	330.073952802 
AVERAGEMASS	330.28886 
SMILES	COc(c3)cc(cc(OC)3)C(O1)=C(O)C(=O)c(c(O)2)c(cc(O)c2)1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox