Mol:FL1C28NP0002

From Metabolomics.JP
Jump to: navigation, search

FL1C28NP0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 33  0  0  0  0  0  0  0  0999 V2000 
    3.1196    0.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1196   -0.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6759   -0.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2322   -0.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2322    0.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6759    0.7334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9864   -0.2095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5427   -0.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4303   -0.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8694   -0.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4303   -1.1713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8694    0.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3167    0.7602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2359    0.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2359   -0.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3167   -0.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6759    1.1713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6759   -1.0251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3167    1.1385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3167   -0.9243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7885    0.7602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3412    0.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3412   -0.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7885   -0.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6765    0.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8760    0.1324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5030    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0845    0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6724    0.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6724    1.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2322    0.1748    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 
  7  8  2  0  0  0  0 
  7  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
  2  8  1  0  0  0  0 
 10 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 10  1  0  0  0  0 
  6 17  1  0  0  0  0 
  3 18  1  0  0  0  0 
 13 19  1  0  0  0  0 
 16 20  1  0  0  0  0 
 14 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 24 15  1  0  0  0  0 
 22 25  1  0  0  0  0 
 22 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
 28 29  2  0  0  0  0 
 29 30  1  0  0  0  0 
 29 31  1  0  0  0  0 
S  SKP  8 
ID	FL1C28NP0002 
KNApSAcK_ID	C00007152 
NAME	Flemingin C 
CAS_RN	18296-60-1 
FORMULA	C25H26O6 
EXACTMASS	422.172938564 
AVERAGEMASS	422.47033999999996 
SMILES	c(c3)(c(O)c(c(c3O)2)C=CC(CCC=C(C)C)(O2)C)C(=O)C=Cc(c(O)1)cc(cc1)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox