Mol:FL1CHYNS0003

From Metabolomics.JP
Jump to: navigation, search

FL1CHYNS0003.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 21 22  0  0  0  0  0  0  0  0999 V2000 
   -2.2321    0.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2321   -0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6758   -0.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1195   -0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1195    0.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6758    0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5632   -0.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0069   -0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5492   -0.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1053   -0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6663   -0.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2273   -0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2273    0.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6663    0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1053    0.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5632   -0.8274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5492   -0.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7882    0.9585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7882    0.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1122   -0.4866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3977   -0.8991    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  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11 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 10  1  0  0  0  0 
  7 16  2  0  0  0  0 
  9 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
 13 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  20  21 
M  SBL   1  1  21 
M  SMT   1 OCH3 
M  SBV   1 21   -5.4075    2.4569 
S  SKP  8 
ID	FL1CHYNS0003 
KNApSAcK_ID	C00006995 
NAME	Licodione 2'-methyl ether 
CAS_RN	75808-78-5 
FORMULA	C16H14O5 
EXACTMASS	286.084123558 
AVERAGEMASS	286.27936 
SMILES	COc(c2)c(ccc(O)2)C(=O)CC(=O)c(c1)ccc(O)c1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox