Mol:FL4DA9GS0004

From Metabolomics.JP
Jump to: navigation, search

FL4DA9GS0004.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
   -2.5038    0.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7837    1.1393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5126   -0.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7998   -0.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0843   -0.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0730    0.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3712   -0.5301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3469   -0.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3537    0.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3529    1.1197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0920    1.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1009    1.9428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8200    2.3482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5283    1.9294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5219    1.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8020    0.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3861   -1.3550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2121    1.1522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2017   -0.8111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2121    0.7079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7998   -1.2617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8200    3.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2194   -1.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6320   -2.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1614   -2.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9597   -2.4597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3725   -1.7451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5789   -1.9718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9757   -3.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2515   -2.9156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1269   -2.3078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9680   -1.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  1  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  2  1  0  0  0  0 
  5  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  6  1  0  0  0  0 
  9 11  1  1  0  0  0 
 11 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 11  1  0  0  0  0 
  7 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
  8 19  1  6  0  0  0 
 15 20  1  0  0  0  0 
  4 21  1  0  0  0  0 
 13 22  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  1  0  0  0 
 26 25  1  1  0  0  0 
 27 26  1  1  0  0  0 
 27 28  1  0  0  0  0 
 28 23  1  0  0  0  0 
 26 29  1  0  0  0  0 
 25 30  1  0  0  0  0 
 24 31  1  0  0  0  0 
 23 32  1  0  0  0  0 
 27 19  1  0  0  0  0 
S  SKP  5 
ID	FL4DA9GS0004 
FORMULA	C21H22O11 
EXACTMASS	450.116211546 
AVERAGEMASS	450.39278 
SMILES	C(C(=O)3)(C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(O)cc(O)2)OC(O1)C(O)C(O)C(O)C(C)1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox