Mol:FL3FAAGS0011

From Metabolomics.JP
Jump to: navigation, search

FL3FAAGS0011.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
   -0.4179    0.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4179   -0.5943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2832   -0.9992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9844   -0.5943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9844    0.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2832    0.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6856   -0.9992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3867   -0.5943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3867    0.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6856    0.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6856   -1.8577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0876    0.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8023    0.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5168    0.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5168    1.4451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8023    1.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0876    1.4451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1189    0.6199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2832   -1.8085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2313    1.8575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.6814    0.5426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9504   -0.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0724    0.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1114    0.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7676    0.9224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7222    0.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.2313    0.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.6940   -0.2820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2300   -0.2645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2701    1.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.9716    1.1337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9011    1.7728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0005    1.2528    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 
  3 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
 21 22  1  1  0  0  0 
 22 23  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 21  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
 24 18  1  0  0  0  0 
 26 30  1  0  0  0  0 
 30 31  2  0  0  0  0 
 32 33  1  0  0  0  0 
 30 32  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  32  33 
M  SBL   1  1  36 
M  SMT   1 OCH3 
M  SBV   1  36   -0.3690   -0.6390 
S  SKP  5 
ID	FL3FAAGS0011 
FORMULA	C22H20O11 
EXACTMASS	460.100561482 
AVERAGEMASS	460.3876 
SMILES	OC(C4O)C(OC(C(OC)=O)C(O)4)Oc(c3)cc(c(c3O)1)OC(c(c2)ccc(c2)O)=CC1=O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox