Mol:FL5FABGI0020

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

FL5FABGI0020.png 

<pre>

Copyright: ARM project http://www.metabolome.jp/
 60 65  0  0  0  0  0  0  0  0999 V2000
   -1.4047    0.9788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4047    0.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6883   -0.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0280    0.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0280    0.9788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6883    1.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7443   -0.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4606    0.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4606    0.9788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7443    1.3924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7443   -0.9069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3626    1.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0926    1.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8227    1.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8227    2.3946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0926    2.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3626    2.3946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2603    1.4727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6883   -0.9866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125   -0.3492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9080   -1.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5974   -2.1684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3786   -1.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5974   -0.6330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9080   -0.2348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1268   -1.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9721   -1.0003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0852   -2.4313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4738   -2.7286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8751   -1.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6883    2.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4044    2.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4044    3.4576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6899    3.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1189    3.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6552   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1331   -3.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8213   -2.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4855   -2.7602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0029   -2.2775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4008   -2.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0567   -2.6637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5338   -3.0521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440   -3.2452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6086   -3.4405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3606   -3.8702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4335   -3.4405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8110    1.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3330    0.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6448    1.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9806    1.0525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4632    1.5352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0653    1.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4726    1.0266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9323    0.7607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0427    0.5882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5526    2.8159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4726    2.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6376    1.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6114    1.4957    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
  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
  4  3  1  0  0  0  0
  1 18  1  0  0  0  0
 19  3  1  0  0  0  0
  8 20  1  0  0  0  0
 22 21  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  1  0  0  0
 26 21  1  1  0  0  0
 26 27  1  0  0  0  0
 21 28  1  0  0  0  0
 22 29  1  0  0  0  0
 23 30  1  0  0  0  0
 25 20  1  0  0  0  0
  6 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 36 37  1  1  0  0  0
 37 38  1  1  0  0  0
 39 38  1  1  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 36  1  0  0  0  0
 36 42  1  0  0  0  0
 37 43  1  0  0  0  0
 38 44  1  0  0  0  0
 39 28  1  0  0  0  0
 29 45  1  0  0  0  0
 45 46  2  0  0  0  0
 45 47  1  0  0  0  0
 48 49  1  1  0  0  0
 49 50  1  1  0  0  0
 51 50  1  1  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 48  1  0  0  0  0
 48 54  1  0  0  0  0
 49 55  1  0  0  0  0
 50 56  1  0  0  0  0
 51 18  1  0  0  0  0
 57 58  1  0  0  0  0
 15 57  1  0  0  0  0
 59 60  1  0  0  0  0
 53 59  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  57  58
M  SBL   1  1  63
M  SMT   1 OCH3
M  SBV   1  63   -0.7298   -0.4213
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  59  60
M  SBL   2  1  65
M  SMT   2 ^CH2OH
M  SBV   2  65    0.5723   -0.5533
S  SKP  5
ID	FL5FABGI0020
FORMULA	C40H50O20
EXACTMASS	850.28954404
AVERAGEMASS	850.8130000000001
SMILES	C(C5OC(C)=O)(OC(C(C5OC(C6O)OCC(C6O)O)O)OC(C(=O)4)=C(Oc(c42)c(c(OC(C3O)OC(C(O)C3O)CO)cc2O)CC=C(C)C)c(c1)ccc(OC)c1)C
M  END

</pre>

Retrieved from "http://metabolomics.jp/mediawiki/index.php?title=Mol:FL5FABGI0020&oldid=188552"
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox