Mol:FL3FACCS0028

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

FL3FACCS0028.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 42 46  0  0  0  0  0  0  0  0999 V2000
   -0.3742    0.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3742   -0.7863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3403   -1.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0547   -0.7863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0547    0.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3403    0.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7692   -1.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4836   -0.7863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4836    0.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7692    0.4513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7692   -1.8420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3403   -2.0234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3568    0.5836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1097    0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8626    0.5836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8626    1.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1097    1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3568    1.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4331    2.0234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2410   -0.6259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5787   -1.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9165   -0.9702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0160   -1.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6517   -0.4935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3668   -0.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8762   -0.9243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4230   -1.4130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1092    0.4631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1878   -1.5155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8538   -0.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6150    0.1491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0053   -0.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3308   -0.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5448    0.2675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3308    1.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0053    1.4105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7914    0.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7386    1.8600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3308    1.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3554    1.0496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6150   -0.1223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5611   -0.2590    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  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
  3 12  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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
  9 13  1  0  0  0  0
 16 19  1  0  0  0  0
 20 21  1  1  0  0  0
 21 22  1  1  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
  2 23  1  0  0  0  0
  1 28  1  0  0  0  0
 22 29  1  0  0  0  0
 25 30  1  0  0  0  0
 15 31  1  0  0  0  0
 33 32  1  1  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  1  0  0  0
 37 32  1  1  0  0  0
 36 38  1  0  0  0  0
 35 39  1  0  0  0  0
 37 40  1  0  0  0  0
 32 41  1  0  0  0  0
 33 42  1  0  0  0  0
 42 30  1  0  0  0  0
S  SKP  5
ID	FL3FACCS0028
FORMULA	C27H30O15
EXACTMASS	594.15847029
AVERAGEMASS	594.5181
SMILES	O(C=1c(c5)ccc(c5O)O)c(c2)c(c(c(C(O3)C(C(O)C(O)C(COC(O4)C(C(O)C(O)C4C)O)3)O)c2O)O)C(C1)=O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox