Mol:FL5F2CNI0001

From Metabolomics.JP
Revision as of 09:00, 14 March 2009 by Editor (Talk | contribs)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search

FL5F2CNI0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
   -1.9630   -0.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9630   -1.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067   -1.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8504   -1.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8504   -0.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067   -0.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941   -1.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2622   -1.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2622   -0.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941   -0.4145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941   -2.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183   -0.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853   -0.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9523   -0.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9523    0.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853    0.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183    0.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5191   -0.4147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853    1.2219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5191    0.5673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183   -1.6991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5191   -1.6991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2515    0.5673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2515    1.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3141    1.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3141    2.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8797    1.2204    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 
  1 18  1  0  0  0  0 
 16 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
  8 21  1  0  0  0  0 
  2 22  1  0  0  0  0 
 17 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  2  0  0  0  0 
 25 26  1  0  0  0  0 
 25 27  1  0  0  0  0 
S  SKP  8 
ID	FL5F2CNI0001 
KNApSAcK_ID	C00005117 
NAME	Neouralenol;2-[3,4-Dihydroxy-2-(3-methyl-2-butenyl)phenyl]-3,6,7-trihydroxy-4H-1-benzopyran-4-one 
CAS_RN	139163-16-9 
FORMULA	C20H18O7 
EXACTMASS	370.10525293 
AVERAGEMASS	370.35272 
SMILES	c(c1)c(O)c(c(CC=C(C)C)c1C(=C3O)Oc(c2)c(C3=O)cc(O)c(O)2)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox