Mol:FL4DAHGS0001

From Metabolomics.JP
Jump to: navigation, search

FL4DAHGS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
   -4.2902   -1.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5862   -1.7216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8823   -1.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8823   -0.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5862   -0.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2902   -0.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1783   -1.7216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4744   -1.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4744   -0.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1783   -0.0959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1783   -2.4296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6909   -0.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0236   -0.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7381   -0.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7381    0.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0236    1.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6909    0.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.8991   -0.1142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7371   -1.7453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4526    1.1399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5862   -2.5336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0249    1.8811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6160    2.3894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7404    1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7336    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4697    0.9269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3454    1.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3522    1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5187    2.5336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1056    1.9437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8991    0.9143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2302    0.8227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4766   -0.5479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6470   -1.2237    0.0000 C   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 
  3  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  4  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 
  6 18  1  0  0  0  0 
  8 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
  2 21  1  0  0  0  0 
 16 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 
 20 24  1  0  0  0  0 
 25 29  1  0  0  0  0 
 28 30  1  0  0  0  0 
 27 31  1  0  0  0  0 
 26 32  1  0  0  0  0 
 33 34  1  0  0  0  0 
 14 33  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  33  34 
M  SBL   1  1  37 
M  SMT   1  OCH3 
M  SBV   1  37   -0.7386    0.4502 
S  SKP  5 
ID	FL4DAHGS0001 
FORMULA	C22H24O12 
EXACTMASS	480.126776232 
AVERAGEMASS	480.41876 
SMILES	O(C)c(c2)c(c(cc(C(C3O)Oc(c4)c(c(O)cc4O)C3=O)2)O)OC(O1)C(C(C(O)C1C)O)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox