Mol:FL3FEAGS0028

From Metabolomics.JP
Jump to: navigation, search

FL3FEAGS0028.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 41 45  0  0  0  0  0  0  0  0999 V2000 
   -0.3323   -1.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3323   -1.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3297   -2.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9918   -1.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9918   -1.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3297   -0.7857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6538   -2.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3158   -1.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3158   -1.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6538   -0.7857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9058   -2.8546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9776   -0.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6524   -1.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3271   -0.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3271   -0.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6524    0.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9776   -0.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3297   -3.0774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0093   -0.7166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7671   -0.4382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0103   -1.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9205   -1.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8691   -1.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6332   -0.2377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7463   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.6837    0.6534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.0017   -1.4355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0473   -1.5886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3788   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2209    1.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1128    1.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3044    1.9314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3561    2.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3716    2.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0231    1.8968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7263    0.9260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8457    0.7189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4591    1.8214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0340    3.0774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0454   -2.3441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0017    0.3827    0.0000 O   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 
  3 18  1  0  0  0  0 
 19  1  1  0  0  0  0 
 20 21  1  1  0  0  0 
 21 22  1  1  0  0  0 
 23 22  1  1  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 20  1  0  0  0  0 
 20 26  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 25 29  1  0  0  0  0 
 23 19  1  0  0  0  0 
 30 31  1  1  0  0  0 
 31 32  1  1  0  0  0 
 33 32  1  1  0  0  0 
 33 34  1  0  0  0  0 
 34 35  1  0  0  0  0 
 35 30  1  0  0  0  0 
 30 36  1  0  0  0  0 
 31 37  1  0  0  0  0 
 32 38  1  0  0  0  0 
 29 36  1  0  0  0  0 
 33 39  1  0  0  0  0 
  2 40  1  0  0  0  0 
 15 41  1  0  0  0  0 
S  SKP  5 
ID	FL3FEAGS0028 
FORMULA	C26H28O15 
EXACTMASS	580.1428202259999 
AVERAGEMASS	580.49152 
SMILES	c(c1)(ccc(C(=C2)Oc(c3)c(c(c(c3OC(C5O)OC(C(C5O)O)COC(O4)C(O)C(C(O)C4)O)O)O)C2=O)c1)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox