Mol:FL7AAIGL0025

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

FL7AAIGL0025.png 

<pre>

Copyright: ARM project http://www.metabolome.jp/
 90 98  0  0  0  0  0  0  0  0999 V2000
   -0.9904    3.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2722    3.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2722    4.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9904    5.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7085    4.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7084    3.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4459    3.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1640    3.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1640    4.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4459    5.0935    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    1.8481    5.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5347    4.6775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2213    5.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2213    5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5347    6.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8481    5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9264    6.2738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2960    5.0183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0816    2.9174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8361    3.4618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4193    2.6588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7131    1.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8843    2.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9138    2.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6197    3.1762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4488    2.6712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1014    2.3128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    2.0191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1186    1.9576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1914    3.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4933    3.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4639    3.0994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2986    2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9968    3.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0262    3.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4181    3.7631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8291    3.7622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9654    2.9688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1258    2.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4030    2.0444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7017    1.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2164    0.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    0.6713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0885    0.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5739    1.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    0.9990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1154   -0.2398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6390   -0.0828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9418    1.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5136    0.5928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0166    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4279    2.0209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2730    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8732    0.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1450    0.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2555    1.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0566    1.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4572    0.6159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0567   -0.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2555   -0.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9493    0.6158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9551   -1.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9862   -1.9273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6754   -1.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9393   -0.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083   -0.3181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2192   -1.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9458   -2.7681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3116   -2.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7108   -0.8526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2650   -1.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4909   -2.4110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2550   -2.8672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9654   -2.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2550   -3.7747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5331   -4.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5357   -5.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2479   -5.4338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2431   -6.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5263   -6.6672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8142   -6.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8189   -5.4257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7111   -6.5518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5263   -7.3719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5329    6.9679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2323    7.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1736    3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3194    3.7039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9692    4.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6534    5.0919    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
  2  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  3  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
 14 17  1  0  0  0  0
  5 18  1  0  0  0  0
  1 19  1  0  0  0  0
  8 20  1  0  0  0  0
 21 22  1  1  0  0  0
 22 23  1  1  0  0  0
 24 23  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 24 19  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  1  0  0  0
 33 32  1  1  0  0  0
 34 33  1  1  0  0  0
 34 35  1  0  0  0  0
 35 30  1  0  0  0  0
 30 36  1  0  0  0  0
 35 37  1  0  0  0  0
 34 38  1  0  0  0  0
 33 39  1  0  0  0  0
 39 40  1  0  0  0  0
 31 20  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  1  0  0  0
 44 43  1  1  0  0  0
 45 44  1  1  0  0  0
 45 46  1  0  0  0  0
 46 41  1  0  0  0  0
 40 45  1  0  0  0  0
 44 47  1  0  0  0  0
 43 48  1  0  0  0  0
 41 49  1  0  0  0  0
 42 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  2  0  0  0  0
 51 53  1  0  0  0  0
 53 54  2  0  0  0  0
 54 55  1  0  0  0  0
 55 56  2  0  0  0  0
 56 57  1  0  0  0  0
 57 58  2  0  0  0  0
 58 59  1  0  0  0  0
 59 60  2  0  0  0  0
 60 55  1  0  0  0  0
 79 83  1  0  0  0  0
 80 84  1  0  0  0  0
 58 61  1  0  0  0  0
 62 63  1  1  0  0  0
 63 64  1  1  0  0  0
 65 64  1  1  0  0  0
 65 66  1  0  0  0  0
 66 67  1  0  0  0  0
 67 62  1  0  0  0  0
 62 68  1  0  0  0  0
 63 69  1  0  0  0  0
 64 70  1  0  0  0  0
 65 61  1  0  0  0  0
 67 71  1  0  0  0  0
 71 72  1  0  0  0  0
 72 73  1  0  0  0  0
 73 74  2  0  0  0  0
 73 75  1  0  0  0  0
 75 76  2  0  0  0  0
 76 77  1  0  0  0  0
 77 78  2  0  0  0  0
 78 79  1  0  0  0  0
 79 80  2  0  0  0  0
 80 81  1  0  0  0  0
 81 82  2  0  0  0  0
 82 77  1  0  0  0  0
 85 86  1  0  0  0  0
 15 85  1  0  0  0  0
 87 88  1  0  0  0  0
 26 87  1  0  0  0  0
 89 90  1  0  0  0  0
 13 89  1  0  0  0  0
M  CHG  1  10   1
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  85  86
M  SBL   1  1  94
M  SMT   1  OCH3
M  SBV   1  94    0.0018   -0.7048
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  87  88
M  SBL   2  1  96
M  SMT   2 ^ CH2OH
M  SBV   2  96    0.7248   -0.5454
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  89  90
M  SBL   3  1  98
M  SMT   3  OCH3
M  SBV   3  98   -0.7480    0.3772
S  SKP  5
ID	FL7AAIGL0025
FORMULA	C59H67O31
EXACTMASS	1271.366630426
AVERAGEMASS	1272.1446799999999
SMILES	c(c(O)1)(ccc(C=CC(OCC(O2)C(O)C(O)C(C2Oc(c9)ccc(c9)C=CC(OC(C(C)3)C(C(O)C(OCC(C(O)4)OC(Oc(c7)c(c(c8)cc(OC)c(O)c8OC)[o+1]c(c75)cc(cc5OC(C6O)OC(C(C6O)O)CO)O)C(O)C4O)O3)O)=O)O)=O)c1)O
M  END

</pre>

Retrieved from "http://metabolomics.jp/mediawiki/index.php?title=Mol:FL7AAIGL0025&oldid=192896"
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox