Mol:FL5FADGL0029

From Metabolomics.JP
Jump to: navigation, search

FL5FADGL0029.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 55 60  0  0  0  0  0  0  0  0999 V2000 
   -4.0963    0.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0963   -0.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3819   -0.8631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6674   -0.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6674    0.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3819    0.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9529   -0.8631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2385   -0.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2385    0.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9529    0.7868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9529   -1.5064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5243    0.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2038    0.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9320    0.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9320    1.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2038    2.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5243    1.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.8105    0.7867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7323   -0.9502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3819   -1.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2753   -2.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8442   -3.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6733   -2.9110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5073   -3.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9386   -2.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1095   -2.6381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5391   -2.4696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4699   -0.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0388   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8679   -1.1080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7020   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1332   -0.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3041   -0.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2057   -0.5254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7706   -0.3483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8789   -0.7695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4321   -1.2226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8470   -1.7017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2864   -3.0561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1960   -3.5161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5073   -3.8755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6346    1.9780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7187    2.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2309    1.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9857    1.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6721    1.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1599    1.9151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4053    1.8366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9745    2.3291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9953    2.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8105    1.5900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3101    1.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1262    0.1962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2199    2.7231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7868    3.8755    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 
  8 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  1  0  0  0 
 23 24  1  1  0  0  0 
 25 24  1  1  0  0  0 
 25 26  1  0  0  0  0 
 26 21  1  0  0  0  0 
 21 27  1  0  0  0  0 
 28 29  1  0  0  0  0 
 29 30  1  1  0  0  0 
 30 31  1  1  0  0  0 
 32 31  1  1  0  0  0 
 32 33  1  0  0  0  0 
 33 28  1  0  0  0  0 
 28 34  1  0  0  0  0 
 33 35  1  0  0  0  0 
 32 36  1  0  0  0  0 
 31 37  1  0  0  0  0 
 25 38  1  0  0  0  0 
 37 38  1  0  0  0  0 
 22 39  1  0  0  0  0 
 23 40  1  0  0  0  0 
 24 41  1  0  0  0  0 
 29 19  1  0  0  0  0 
 42 15  1  0  0  0  0 
 43 44  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 43  1  0  0  0  0 
 43 49  1  0  0  0  0 
 48 50  1  0  0  0  0 
 47 51  1  0  0  0  0 
 42 44  1  0  0  0  0 
 52 53  1  0  0  0  0 
 46 52  1  0  0  0  0 
 54 55  1  0  0  0  0 
 16 54  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  52  53 
M  SBL   1  1  58 
M  SMT   1  CH2OH 
M  SBV   1  58   -0.6380    0.0943 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  54  55 
M  SBL   2  1  60 
M  SMT   2  OCH3 
M  SBV   2  60   -0.0161   -0.6753 
S  SKP  5 
ID	FL5FADGL0029 
FORMULA	C34H42O21 
EXACTMASS	786.2218584059999 
AVERAGEMASS	786.68468 
SMILES	OC(C1O)C(O)C(Oc(c2OC)ccc(C(=C(OC(O5)C(O)C(C(O)C5COC(C6O)OC(C)C(C6O)O)O)3)Oc(c4)c(c(cc4O)O)C3=O)c2)OC1CO 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox