Mol:FL5FACGL0026

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

FL5FACGL0026.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 52 57  0  0  0  0  0  0  0  0999 V2000
   -3.4061    1.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4061    0.5169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7051    0.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0042    0.5169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0042    1.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7051    1.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3032    0.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6022    0.5169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6022    1.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3032    1.7311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3032   -0.5189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0985    1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8129    1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5274    1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5274    2.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8129    2.9683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0985    2.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1068    1.7309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1640    0.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7051   -0.6969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3261    3.0169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5517   -1.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1827   -0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0503   -1.5460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1827   -2.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5517   -2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3187   -1.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4451   -0.4098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9634   -2.4152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4912   -3.4938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3187   -0.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8761   -0.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6788   -0.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4535   -0.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8906    0.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1882   -0.2318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0497   -0.6440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3602   -0.9809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1068   -0.0759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8129    3.7930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0901   -3.3360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2985   -3.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5497   -2.9141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2985   -2.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0901   -1.5728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8390   -2.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5852   -1.0678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2985   -1.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4672   -1.9735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8399   -3.3103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0523   -3.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4975   -3.5693    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  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
  1 18  1  0  0  0  0
  8 19  1  0  0  0  0
  3 20  1  0  0  0  0
 21 15  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 19  1  0  0  0  0
 31 32  1  1  0  0  0
 32 33  1  1  0  0  0
 34 33  1  1  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 31  1  0  0  0  0
 32 37  1  0  0  0  0
 33 38  1  0  0  0  0
 28 31  1  0  0  0  0
 34 39  1  0  0  0  0
 16 40  1  0  0  0  0
 42 41  1  1  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  1  0  0  0
 46 41  1  1  0  0  0
 45 47  1  0  0  0  0
 44 48  1  0  0  0  0
 46 49  1  0  0  0  0
 41 50  1  0  0  0  0
 25 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 42  1  0  0  0  0
S  SKP  5
ID	FL5FACGL0026
FORMULA	C32H38O20
EXACTMASS	742.1956436559999
AVERAGEMASS	742.63212
SMILES	c(c1)c(O)c(cc1C(=C(OC(C(OC(C(O)6)OCC(O)C6O)5)OC(C(O)C(O)5)COC(C(O)4)OC(C)C(C(O)4)O)3)Oc(c2)c(C3=O)c(cc(O)2)O)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox