Mol:FL7AAHGL0006

From Metabolomics.JP
Jump to: navigation, search

FL7AAHGL0006.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 56 61  0  0  0  0  0  0  0  0999 V2000 
   -2.9045    0.9881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9045    0.1631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1900   -0.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4756    0.1631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4756    0.9881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1900    1.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7611   -0.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0467    0.1631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0467    0.9881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7611    1.4006    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0 
    0.6675    1.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3957    0.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1238    1.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1238    2.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3957    2.6617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6675    2.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6187    1.4004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8455    2.6139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1900   -1.0741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8518    0.9802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7832   -0.3485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7905   -0.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2628   -0.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9500   -0.7407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5115   -1.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0393   -0.7038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3520   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1801   -0.0507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9658   -0.2577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5914   -1.0399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2019   -1.3192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5264   -1.8933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8308   -3.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5994   -3.8400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8271   -3.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4032   -2.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5338   -2.6099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3295   -3.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7539   -4.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2382   -4.2786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6187   -3.0180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6910   -3.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2377   -3.0261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1986   -2.9805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7566   -3.5638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1202   -3.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4938   -3.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0476   -2.8633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6025   -3.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7654   -3.1590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4406   -3.6194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4108   -3.7235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4105    3.2765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9774    4.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2148   -2.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4809   -2.3418    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  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10  5  1  0  0  0  0 
  9 11  1  0  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 
  1 17  1  0  0  0  0 
 14 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 13 20  1  0  0  0  0 
 21  8  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  1  0  0  0 
 24 25  1  1  0  0  0 
 26 25  1  1  0  0  0 
 26 27  1  0  0  0  0 
 27 22  1  0  0  0  0 
 22 28  1  0  0  0  0 
 27 29  1  0  0  0  0 
 26 30  1  0  0  0  0 
 25 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
 23 21  1  0  0  0  0 
 33 34  1  1  0  0  0 
 34 35  1  1  0  0  0 
 36 35  1  1  0  0  0 
 36 37  1  0  0  0  0 
 37 38  1  0  0  0  0 
 38 33  1  0  0  0  0 
 33 39  1  0  0  0  0 
 34 40  1  0  0  0  0 
 35 41  1  0  0  0  0 
 38 42  1  0  0  0  0 
 36 32  1  0  0  0  0 
 42 43  1  0  0  0  0 
 44 45  1  1  0  0  0 
 45 46  1  1  0  0  0 
 47 46  1  1  0  0  0 
 47 48  1  0  0  0  0 
 48 49  1  0  0  0  0 
 49 44  1  0  0  0  0 
 44 50  1  0  0  0  0 
 45 51  1  0  0  0  0 
 46 52  1  0  0  0  0 
 47 43  1  0  0  0  0 
 53 54  1  0  0  0  0 
 15 53  1  0  0  0  0 
 55 56  1  0  0  0  0 
 49 55  1  0  0  0  0 
M  CHG  1  10   1 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  53  54 
M  SBL   1  1  59 
M  SMT   1  OCH3 
M  SBV   1  59   -0.0147   -0.6148 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  55  56 
M  SBL   2  1  61 
M  SMT   2 ^ CH2OH 
M  SBV   2  61    0.6124   -0.5394 
S  SKP  5 
ID	FL7AAHGL0006 
FORMULA	C34H43O22 
EXACTMASS	803.2245980600001 
AVERAGEMASS	803.69202 
SMILES	C(O)(C5O)C(C(OC5COC(O6)C(C(O)C(C6CO)O)O)OCC(C(O)1)OC(Oc(c3)c(c(c4)cc(OC)c(O)c4O)[o+1]c(c23)cc(O)cc2O)C(O)C1O)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox