Mol:FL5FAHGS0004

From Metabolomics.JP
Jump to: navigation, search

FL5FAHGS0004.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
    1.4723    0.7525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7578    1.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7578    1.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4723    2.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1867    1.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1867    1.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0433    0.7525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6711    1.1650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3856    0.7525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3856   -0.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6711   -0.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0433   -0.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1001    1.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8145    0.7525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8145   -0.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1001   -0.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6711   -1.1919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5290    1.1650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7578   -0.4850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1001   -1.1760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9012    2.4025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4723    3.2275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8647    0.7736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5290    1.1572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7877   -2.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3963   -3.2275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7877   -1.6351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7642   -2.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1530   -2.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3963   -2.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1937   -2.0018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1530   -2.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5978   -3.2074    0.0000 O   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 
  2  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12  7  2  0  0  0  0 
  9 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 
 14 18  1  0  0  0  0 
 11 17  2  0  0  0  0 
 12 19  1  0  0  0  0 
 16 20  1  0  0  0  0 
  5 21  1  0  0  0  0 
  4 22  1  0  0  0  0 
  6 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 30 25  1  1  0  0  0 
 29 25  1  1  0  0  0 
 28 30  1  1  0  0  0 
 30 26  1  0  0  0  0 
 31 28  1  0  0  0  0 
 29 31  1  0  0  0  0 
 25 27  1  0  0  0  0 
 29 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
 19 28  1  0  0  0  0 
S  SKP  5 
ID	FL5FAHGS0004 
FORMULA	C21H20O12 
EXACTMASS	464.095476104 
AVERAGEMASS	464.37629999999996 
SMILES	O(C(=C3c(c4)cc(OC)c(O)c(O)4)C(=O)c(c(O3)2)c(cc(O)c2)O)C(C(O)1)OC(CO)C1O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox