Mol:FL2FA9NI0001

From Metabolomics.JP
Jump to: navigation, search

FL2FA9NI0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -1.5152   -0.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5152   -0.8664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0148   -1.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5143   -0.8664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5143   -0.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0148    0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0139   -1.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4865   -0.8664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4865   -0.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0139    0.0004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9867    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5010   -0.2968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0154    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0154    0.5941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5010    0.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9867    0.5941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4865    0.3921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0154    0.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0148   -1.7329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0139   -1.7329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0148    0.5779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5147    0.8666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5147    1.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0148    1.7329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0145    1.7329    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  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 
  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  5  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  9 17  1  1  0  0  0 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
  7 20  2  0  0  0  0 
  6 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 24  1  0  0  0  0 
 23 25  1  0  0  0  0 
S  SKP  8 
ID	FL2FA9NI0001 
KNApSAcK_ID	C00000965 
NAME	Glabranin 
CAS_RN	41983-91-9 
FORMULA	C20H20O4 
EXACTMASS	324.136159128 
AVERAGEMASS	324.37039999999996 
SMILES	C(c(c3)cccc3)(O2)([H])CC(=O)c(c21)c(cc(O)c1CC=C(C)C)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox