Mol:FL2FBEGS0001

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

FL2FBEGS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 34 37  0  0  0  0  0  0  0  0999 V2000
   -1.3085   -0.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3085   -1.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6073   -1.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0939   -1.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0939   -0.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6073    0.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7951   -1.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4963   -1.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4963   -0.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7951    0.1395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1973    0.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9120   -0.2733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6267    0.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6267    0.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9120    1.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1973    0.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7951   -2.1653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0095    0.1394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9120    2.2022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7698    0.6362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3435   -0.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5186    0.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6987   -0.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    0.6180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9500    0.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2417    0.6362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0206    0.0791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2362   -0.3754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2578    0.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3400    1.7990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3412    1.3771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417    0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1574   -1.6823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2569   -2.2022    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
  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  1  0  0  0  0
  9 10  1  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
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
 15 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
 18 23  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 29 30  1  0  0  0  0
 25 29  1  0  0  0  0
 31 32  1  0  0  0  0
 14 31  1  0  0  0  0
 33 34  1  0  0  0  0
  3 33  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  29  30
M  SBL   1  1  33
M  SMT   1 ^ CH2OH
M  SBV   1  33    0.3078   -0.5331
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  31  32
M  SBL   2  1  35
M  SMT   2  OCH3
M  SBV   2  35   -0.7145   -0.4126
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  33  34
M  SBL   3  1  37
M  SMT   3 ^ OCH3
M  SBV   3  37    0.5501    0.2023
S  SKP  5
ID	FL2FBEGS0001
FORMULA	C23H26O11
EXACTMASS	478.147511674
AVERAGEMASS	478.44594
SMILES	C(C1O)(C(C(OC1Oc(c4)cc(c(c42)C(CC(c(c3)ccc(c3O)OC)O2)=O)OC)CO)O)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox