Mol:FL7AAHGL0007

From Metabolomics.JP
Revision as of 09:00, 14 March 2009 by Editor (Talk | contribs)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search

FL7AAHGL0007.png 

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 66 72  0  0  0  0  0  0  0  0999 V2000 
   -3.3433    0.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3433    0.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6286   -0.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9138    0.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9138    0.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6286    1.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1991   -0.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4843    0.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4843    0.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1991    1.3284    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0 
    0.2302    1.3283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9586    0.9078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6871    1.3283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6871    2.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9586    2.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2302    2.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9586    3.4309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0578    1.3283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4153    2.5899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6286   -1.1472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3855   -0.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7064   -1.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0550   -1.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2234   -1.8991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0011   -2.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7064   -3.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4819   -2.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7055   -0.8177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1483   -2.7620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6416   -3.7396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1996   -3.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5857   -0.2891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1593   -0.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8746   -0.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5883   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0237   -0.0261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4058   -0.4247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3587   -0.9016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5686   -0.9991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0578   -0.3214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3796    4.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1638    3.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4808    3.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1896    3.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1681    4.0910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8590    4.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0886    4.4929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7688    3.9128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2954    3.0212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6320   -5.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1851   -4.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9502   -4.7243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6823   -4.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1294   -5.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3643   -4.9358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8400   -4.7345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4646   -4.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8254   -5.5689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6090   -5.9015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2977   -3.8348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1500    4.9408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7019    5.9015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8346    0.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5437    1.3259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5298    0.8418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8146    0.8418    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 
 15 17  1  0  0  0  0 
  1 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
 21  8  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 
 25 31  1  0  0  0  0 
 32 33  1  1  0  0  0 
 33 34  1  1  0  0  0 
 35 34  1  1  0  0  0 
 35 36  1  0  0  0  0 
 36 37  1  0  0  0  0 
 37 32  1  0  0  0  0 
 33 38  1  0  0  0  0 
 34 39  1  0  0  0  0 
 35 40  1  0  0  0  0 
 28 32  1  0  0  0  0 
 23 21  1  0  0  0  0 
 41 42  1  1  0  0  0 
 42 43  1  1  0  0  0 
 44 43  1  1  0  0  0 
 44 45  1  0  0  0  0 
 45 46  1  0  0  0  0 
 46 41  1  0  0  0  0 
 41 47  1  0  0  0  0 
 42 48  1  0  0  0  0 
 43 49  1  0  0  0  0 
 44 17  1  0  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 54  1  0  0  0  0 
 54 55  1  1  0  0  0 
 55 50  1  1  0  0  0 
 54 56  1  0  0  0  0 
 53 57  1  0  0  0  0 
 55 58  1  0  0  0  0 
 50 59  1  0  0  0  0 
 31 60  1  0  0  0  0 
 51 60  1  0  0  0  0 
 61 62  1  0  0  0  0 
 46 61  1  0  0  0  0 
 63 64  1  0  0  0  0 
 36 63  1  0  0  0  0 
 65 66  1  0  0  0  0 
 13 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  61  62 
M  SBL   1  1  68 
M  SMT   1 ^ CH2OH 
M  SBV   1  68    0.2910   -0.8468 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  63  64 
M  SBL   2  1  70 
M  SMT   2  CH2OH 
M  SBV   2  70   -0.8109   -0.1006 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  65  66 
M  SBL   3  1  72 
M  SMT   3  OCH3 
M  SBV   3  72   -0.8427    0.4865 
S  SKP  5 
ID	FL7AAHGL0007 
FORMULA	C40H53O26 
EXACTMASS	949.2825068679999 
AVERAGEMASS	949.83322 
SMILES	[o+1](c(c(c6)cc(c(c(OC(O7)C(C(O)C(C7CO)O)O)6)O)OC)1)c(c5)c(c(cc5O)O)cc1OC(O3)C(C(O)C(C3COC(O4)C(O)C(O)C(O)C4C)O)OC(C(O)2)OC(C(C2O)O)CO 
M  END
Retrieved from "http://metabolomics.jp/mediawiki/index.php?title=Mol:FL7AAHGL0007&oldid=192803"
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox