Mol:FL5FFAGL0009

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

FL5FFAGL0009.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 44 48  0  0  0  0  0  0  0  0999 V2000
   -2.0774   -0.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0774   -0.8322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3628   -1.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483   -0.8322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483   -0.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3628    0.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0662   -1.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7807   -0.8322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7807   -0.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0662    0.4055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0662   -2.0661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6804    0.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4086    0.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1368    0.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1368    1.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4086    1.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6804    1.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3628   -2.0694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9162    1.8551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -1.3581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7855    0.4509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5748   -0.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1885   -1.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9315   -1.3053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6790   -1.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0654   -0.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3224   -1.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8174   -0.9183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7895   -0.4938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7612   -1.0517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1927    0.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5181    0.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7321    0.9752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5181    1.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1927    2.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9787    1.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8770    2.7882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083    2.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6253    1.8191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7612    0.6060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4488   -1.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4216   -2.7882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3628    1.1945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8022    2.3501    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  8  1  0  0  0  0
  4  3  1  0  0  0  0
  1 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
 27 29  1  0  0  0  0
 26 30  1  0  0  0  0
 23 20  1  0  0  0  0
 32 31  1  1  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  1  0  0  0
 36 31  1  1  0  0  0
 35 37  1  0  0  0  0
 34 38  1  0  0  0  0
 36 39  1  0  0  0  0
 31 40  1  0  0  0  0
 32 21  1  0  0  0  0
 41 42  1  0  0  0  0
 25 41  1  0  0  0  0
 43 44  1  0  0  0  0
  6 43  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  41  42
M  SBL   1  1  46
M  SMT   1  CH2OH
M  SBV   1  46   -0.7698   -0.0135
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  43  44
M  SBL   2  1  48
M  SMT   2  OCH3
M  SBV   2  48    0.0000   -0.7890
S  SKP  5
ID	FL5FFAGL0009
FORMULA	C28H32O16
EXACTMASS	624.1690349759999
AVERAGEMASS	624.54408
SMILES	OC(C5CO)C(O)C(O)C(O5)OC(=C3c(c4)ccc(c4)O)C(c(c2O)c(O3)c(OC)c(c2)OC(C1O)OC(C(O)C1O)C)=O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox