Mol:FL7AACGA0003

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

FL7AACGA0003.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 42 46  0  0  0  0  0  0  0  0999 V2000
   -3.3078    0.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3078    0.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6066   -0.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9054    0.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9054    0.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6066    1.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2042   -0.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5030    0.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5030    0.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2042    1.3436    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    0.1980    1.3434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9127    0.9308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6274    1.3434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6274    2.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9127    2.5813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1980    2.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3418    2.5812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0087    1.3434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6066   -1.0852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2237   -0.4131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9127    3.4063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3858   -1.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9650   -2.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7741   -2.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5880   -2.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0087   -1.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1996   -2.1987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6044   -2.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3874    0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -0.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7758   -0.3698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5897   -0.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0104    0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2013   -0.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5868    0.0200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4946    0.3278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0104    1.1378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625   -0.5406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6717   -1.0913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4404   -2.5557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3064   -3.0741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5880   -3.4063    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
 14 17  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
  8 20  1  0  0  0  0
 15 21  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
 29 30  1  0  0  0  0
 30 31  1  1  0  0  0
 31 32  1  1  0  0  0
 33 32  1  1  0  0  0
 33 34  1  0  0  0  0
 34 29  1  0  0  0  0
 29 35  1  0  0  0  0
 34 36  1  0  0  0  0
 33 37  1  0  0  0  0
 32 38  1  0  0  0  0
 26 39  1  0  0  0  0
 38 39  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
 30 20  1  0  0  0  0
M  CHG  1  10   1
S  SKP  5
ID	FL7AACGA0003
FORMULA	C27H31O15
EXACTMASS	595.166295322
AVERAGEMASS	595.52604
SMILES	Oc(c(O)1)ccc(c([o+1]2)c(OC(O4)C(O)C(O)C(O)C4COC(O5)C(C(O)C(O)C5C)O)cc(c3O)c2cc(O)c3)c1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox