Mol:FL7AAHGL0015

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

FL7AAHGL0015.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 66 72  0  0  0  0  0  0  0  0999 V2000
   -2.3197    0.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3197    0.1194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6009   -0.2955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8823    0.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8823    0.9493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6009    1.3642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1636   -0.2955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5551    0.1194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5550    0.9493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1637    1.3642    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    1.2734    1.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0058    0.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7382    1.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7382    2.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0058    2.6327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2734    2.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0380    1.3641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4547    2.6234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6009   -1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3391   -0.3680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3302   -1.6846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9836   -2.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500   -2.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3204   -2.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6671   -1.6846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0006   -1.8749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6232   -1.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3481    0.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0016   -0.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6679   -0.2894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3383   -0.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6850    0.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0185   -0.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5899    0.0538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3991    0.3913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3082    0.0763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0176   -0.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4800   -0.9785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3459   -2.1098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5946   -2.7284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3204   -2.8694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4704    0.9413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8984   -2.9126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5133   -3.7689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1026   -2.9162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7067   -3.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0422   -3.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4572   -3.0397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2872   -3.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7021   -3.7566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2872   -4.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4571   -4.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5313   -3.7604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0286   -1.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5490   -1.7382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8585   -1.4696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1923   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6766   -0.9784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2806   -1.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6671   -1.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2478   -1.7581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1728   -1.9496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8439   -0.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5975    0.0320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0058    3.3067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5760    4.4659    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  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
  1 17  1  0  0  0  0
 14 18  1  0  0  0  0
  3 19  1  0  0  0  0
 20  8  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  1  0  0  0
 25 24  1  1  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 21 27  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  1  0  0  0
 30 31  1  1  0  0  0
 32 31  1  1  0  0  0
 32 33  1  0  0  0  0
 33 28  1  0  0  0  0
 28 34  1  0  0  0  0
 33 35  1  0  0  0  0
 32 36  1  0  0  0  0
 31 37  1  0  0  0  0
 25 38  1  0  0  0  0
 37 38  1  0  0  0  0
 22 39  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 29 20  1  0  0  0  0
 13 42  1  0  0  0  0
 43 44  2  0  0  0  0
 43 45  1  0  0  0  0
 45 46  2  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 50 51  1  0  0  0  0
 51 52  2  0  0  0  0
 52 47  1  0  0  0  0
 50 53  1  0  0  0  0
 43 39  1  0  0  0  0
 54 55  1  1  0  0  0
 55 56  1  1  0  0  0
 57 56  1  1  0  0  0
 57 58  1  0  0  0  0
 58 59  1  0  0  0  0
 59 54  1  0  0  0  0
 54 60  1  0  0  0  0
 55 61  1  0  0  0  0
 56 62  1  0  0  0  0
 57 19  1  0  0  0  0
 63 64  1  0  0  0  0
 59 63  1  0  0  0  0
 65 66  1  0  0  0  0
 15 65  1  0  0  0  0
M  CHG  1  10   1
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  63  64
M  SBL   1  1  70
M  SMT   1 ^ CH2OH
M  SBV   1  70    0.5633   -0.5754
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  65  66
M  SBL   2  1  72
M  SMT   2  OCH3
M  SBV   2  72    0.0000   -0.6740
S  SKP  5
ID	FL7AAHGL0015
FORMULA	C43H49O23
EXACTMASS	933.266462874
AVERAGEMASS	933.83536
SMILES	O(C(C7O)OC(C(C7O)OC(C=Cc(c6)ccc(O)c6)=O)C)CC(C(O)1)OC(Oc(c2)c(c(c5)cc(OC)c(c5O)O)[o+1]c(c4)c2c(cc4O)OC(O3)C(C(C(O)C(CO)3)O)O)C(O)C(O)1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox