Mol:FL3FEAGS0024

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

FL3FEAGS0024.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 44 48  0  0  0  0  0  0  0  0999 V2000
   -0.3732   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3732   -1.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3277   -1.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0285   -1.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0285   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3277    0.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7294   -1.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4302   -1.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4302   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7294    0.0006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7294   -2.3148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1308    0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8452   -0.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5595    0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5595    0.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8452    1.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1308    0.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3279   -2.3153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0694   -0.0074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9944    0.1419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4066   -0.6339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5603   -0.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7436   -0.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3370    0.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0775   -0.0932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4821    0.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6210   -0.1436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0533   -0.6387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8884   -0.7696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6790    0.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9629    0.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1901    1.0890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9629    1.8889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6790    2.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4518    1.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2055    0.4690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3201    3.0050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9065    2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1358    1.9673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3018    0.7076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0520   -1.5449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5834   -3.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1917    1.2661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3018    0.6251    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  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
 18  3  1  0  0  0  0
 19  1  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
 25 26  1  0  0  0  0
 20 27  1  0  0  0  0
 21 28  1  0  0  0  0
 22 29  1  0  0  0  0
 31 30  1  1  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  1  0  0  0
 35 30  1  1  0  0  0
 31 36  1  0  0  0  0
 36 26  1  0  0  0  0
 34 37  1  0  0  0  0
 33 38  1  0  0  0  0
 35 39  1  0  0  0  0
 30 40  1  0  0  0  0
 23 19  1  0  0  0  0
 41 42  1  0  0  0  0
  2 41  1  0  0  0  0
 43 44  1  0  0  0  0
 15 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 ^ OCH3
M  SBV   1  46    0.6787    0.3314
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   -0.6322   -0.4409
S  SKP  5
ID	FL3FEAGS0024
FORMULA	C29H34O15
EXACTMASS	622.189770418
AVERAGEMASS	622.5712599999999
SMILES	c(c5)(ccc(OC)c5)C(=C1)Oc(c2)c(c(O)c(c2OC(C(O)3)OC(COC(O4)C(C(C(O)C(C)4)O)O)C(O)C(O)3)OC)C1=O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox