Mol:FLIC1LNF0001

From Metabolomics.JP
Jump to: navigation, search

FLIC1LNF0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 27  0  0  0  0  0  0  0  0999 V2000 
   -2.3052    1.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3052    1.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7489    0.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1926    1.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1926    1.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7489    2.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6363    0.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0800    1.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0800    1.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6363    2.1046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4761    0.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4761    0.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0709   -0.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6656    0.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6656    0.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0709    1.1634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9245    2.1410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0709    1.8495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2136   -0.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8967   -0.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1760   -0.3263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2397   -1.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8974   -2.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9245   -1.5480    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  5  1  0  0  0  0 
  8 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 
 17  1  1  0  0  0  0 
 16 18  1  0  0  0  0 
 13 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 14  1  0  0  0  0 
 20 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 22 24  1  0  0  0  0 
S  SKP  8 
ID	FLIC1LNF0001 
KNApSAcK_ID	C00010031 
NAME	Crotmarine 
CAS_RN	92662-85-6 
FORMULA	C20H20O4 
EXACTMASS	324.136159128 
AVERAGEMASS	324.37039999999996 
SMILES	c(c4)c(C1)c(cc(O)4)OCC(c(c3)c(O)cc(c23)OC(C2)C(C)=C)1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox