Mol:FL5FAAGL0075

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

FL5FAAGL0075.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 56 61  0  0  0  0  0  0  0  0999 V2000
   -4.9811    3.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9811    2.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2666    1.9562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5522    2.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5522    3.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2666    3.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8377    1.9562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1232    2.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1232    3.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8377    3.6062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8377    1.3129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2237    3.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4955    3.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2327    3.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2327    4.6058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4955    5.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2237    4.6058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2666    1.1316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2520    5.0929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6168    3.6062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9336    1.5441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9832   -3.6502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5214   -4.4504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9017   -3.6502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3609   -4.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2145   -4.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5882   -3.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3357   -3.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7094   -4.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3357   -5.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5882   -5.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4565   -4.4456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2159    0.2666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1093    0.7824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8258   -0.2095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1093   -1.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2159   -1.7231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4994   -0.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3269    1.0995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1272   -1.3684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4913   -2.2639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1045   -2.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4983   -3.1653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0621   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5213    0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3748    0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7485   -0.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4961   -0.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8699    0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4961    0.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7485    0.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6168    0.0412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2606   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9296   -0.1807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5797   -2.7511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6621   -3.2809    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
  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  1  1  0  0  0  0
 21  8  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  1  0  0  0
 35 36  1  1  0  0  0
 37 36  1  1  0  0  0
 37 38  1  0  0  0  0
 38 33  1  0  0  0  0
 33 39  1  0  0  0  0
 38 40  1  0  0  0  0
 37 41  1  0  0  0  0
 36 42  1  0  0  0  0
 34 21  1  0  0  0  0
 22 43  1  0  0  0  0
 43 42  1  0  0  0  0
 44 45  2  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 49 50  1  0  0  0  0
 50 51  2  0  0  0  0
 51 46  1  0  0  0  0
 49 52  1  0  0  0  0
 44 53  1  0  0  0  0
 53 54  2  0  0  0  0
 40 53  1  0  0  0  0
  4  3  1  0  0  0  0
 55 56  1  0  0  0  0
 28 55  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  55  56
M  SBL   1  1  61
M  SMT   1 ^OCH3
M  SBV   1  61    0.2440   -1.0472
S  SKP  5
ID	FL5FAAGL0075
FORMULA	C40H34O16
EXACTMASS	770.18468504
AVERAGEMASS	770.68836
SMILES	c(c1O)cc(C=CC(OC(C5O)C(C(OC5COC(C=Cc(c6)cc(OC)c(O)c6)=O)OC(C(=O)2)=C(c(c4)ccc(O)c4)Oc(c3)c2c(cc(O)3)O)O)=O)cc1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox