Mol:FL1CUNNS0001

From Metabolomics.JP
Jump to: navigation, search

FL1CUNNS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 21 22  0  0  0  0  0  0  0  0999 V2000 
   -1.8787    0.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8787    0.1924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1506   -0.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7006    0.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1506    1.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9143    1.9217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9143   -0.7713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0639    0.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4462    1.2373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4462   -0.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2107   -0.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5929   -0.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2544   -1.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5929   -1.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2700   -1.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6086   -1.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2700   -0.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6086    0.1982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8941   -0.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1764    1.7176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4619    1.3051    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  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  1  1  0  0  0  0 
  5  6  2  0  0  0  0 
  3  7  2  0  0  0  0 
  4  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  8 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 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  2 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
  1 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  18  19 
M  SBL   1  1  19 
M  SMT   1 ^OCH3 
M  SBV   1 19   -6.1519    4.0370 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  20  21 
M  SBL   2  1  21 
M  SMT   2 ^OCH3 
M  SBV   2 21   -5.7197    4.7907 
S  SKP  8 
ID	FL1CUNNS0001 
KNApSAcK_ID	C00007167 
NAME	Linderone 
CAS_RN	1782-79-2 
FORMULA	C16H14O5 
EXACTMASS	286.084123558 
AVERAGEMASS	286.27936 
SMILES	COC(C(=O)1)=C(OC)C(=O)C(=C(O)C=Cc(c2)cccc2)1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox