Mol:FL5FAAGL0110

From Metabolomics.JP
Revision as of 09:00, 7 October 2008 by Editor (Talk | contribs)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search

FL5FAAGL0110.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 54 59  0  0  0  0  0  0  0  0999 V2000
   -1.6773   -1.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6773   -1.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9628   -2.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2483   -1.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2483   -1.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9628   -0.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4663   -2.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1808   -1.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1808   -1.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4663   -0.7370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4663   -3.0304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0806   -0.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8088   -0.9986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5371   -0.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5371    0.2627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8088    0.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0806    0.2627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9628   -3.2119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3165    0.7128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9043   -2.5005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3452   -0.7186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8746   -0.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3978   -1.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7112   -0.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0489   -0.9314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5301   -0.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1307   -0.7670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4259   -0.7587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0733   -1.1600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0883   -1.4160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0123   -1.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6678   -2.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3303   -2.3756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9968   -2.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3414   -1.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6789   -2.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4120   -2.0523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0785   -1.6567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9029   -2.0825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1528    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6546    2.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0034    2.0397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0034    1.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5017    1.8334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1528    2.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9074    3.7532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6433    3.2913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5940    1.4021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5082    3.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4259    2.5957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5639   -0.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9263    0.7164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6429   -2.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6154   -3.7532    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
  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
  3 18  1  0  0  0  0
 19 15  1  0  0  0  0
 20  8  1  0  0  0  0
  4  3  1  0  0  0  0
  1 21  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 27  1  0  0  0  0
 27 22  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 21  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  1  0  0  0
 33 34  1  1  0  0  0
 35 34  1  1  0  0  0
 35 36  1  0  0  0  0
 36 31  1  0  0  0  0
 31 37  1  0  0  0  0
 36 38  1  0  0  0  0
 35 39  1  0  0  0  0
 32 20  1  0  0  0  0
 40 41  1  1  0  0  0
 41 42  1  1  0  0  0
 43 42  1  1  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 40  1  0  0  0  0
 40 46  1  0  0  0  0
 41 47  1  0  0  0  0
 42 48  1  0  0  0  0
 43 19  1  0  0  0  0
 49 50  1  0  0  0  0
 45 49  1  0  0  0  0
 51 52  1  0  0  0  0
 27 51  1  0  0  0  0
 53 54  1  0  0  0  0
 34 53  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  49  50
M  SBL   1  1  55
M  SMT   1  CH2OH
M  SBV   1  55   -0.3554   -0.6799
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  51  52
M  SBL   2  1  57
M  SMT   2 ^ CH2OH
M  SBV   2  57    0.4331   -0.4876
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  53  54
M  SBL   3  1  59
M  SMT   3  CH2OH
M  SBV   3  59   -0.6461   -0.0959
S  SKP  5
ID	FL5FAAGL0110
FORMULA	C33H40O21
EXACTMASS	772.206208342
AVERAGEMASS	772.6581
SMILES	O(C1CO)C(OC(=C4c(c5)ccc(OC(O6)C(C(C(O)C6CO)O)O)c5)C(c(c3O4)c(cc(c3)OC(C(O)2)OC(CO)C(O)C2O)O)=O)C(C(C(O)1)O)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox