Mol:FL3FFCGS0008

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

FL3FFCGS0008.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 47 51  0  0  0  0  0  0  0  0999 V2000
    0.7710    0.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7710    0.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2220   -0.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6731    0.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6731    0.7658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2220    1.0263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1242   -0.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5752    0.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5752    0.7658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1242    1.0263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1242   -0.4215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0261    1.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4858    0.7607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9456    1.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9456    1.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4858    1.8224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0261    1.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4858    2.4262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2220   -0.5352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3181    1.1060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2220    1.6047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5147    1.9759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2336    0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7180    0.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9755    0.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2591    0.4451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7797    0.9658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5381    0.6935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8101    0.4964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5218    0.1095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5501   -0.2768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2706   -1.5959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4811   -1.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9655   -1.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2230   -1.3983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5066   -1.3905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0272   -0.8698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7856   -1.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9655   -2.4262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7976   -2.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4712   -0.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1727   -0.8616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9202   -0.6613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9202   -0.1314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5147   -1.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8337    1.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1192    1.0884    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
 16 18  1  0  0  0  0
  3 19  1  0  0  0  0
  1 20  1  0  0  0  0
  6 21  1  0  0  0  0
 22 15  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 28  1  0  0  0  0
 28 23  1  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 31  1  0  0  0  0
 33 34  1  1  0  0  0
 34 35  1  1  0  0  0
 36 35  1  1  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 33  1  0  0  0  0
 34 39  1  0  0  0  0
 35 40  1  0  0  0  0
 32 33  1  0  0  0  0
 36 31  1  0  0  0  0
 26 20  1  0  0  0  0
 38 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 43 45  1  0  0  0  0
 28 46  1  0  0  0  0
 46 47  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  46  47
M  SBL   1  1  50
M  SMT   1 ^CH2OH
M  SBV   1 50   -7.5600    5.0278
S  SKP  8
ID	FL3FFCGS0008
KNApSAcK_ID	C00004424
NAME	8-Hydroxyluteolin 7-[6'''-acetylallosyl-(1->2)-glucoside]
CAS_RN	108706-07-6
FORMULA	C29H32O18
EXACTMASS	668.1588642199999
AVERAGEMASS	668.55358
SMILES	c(c15)(c(c(cc5O)OC(O4)C(C(C(C4CO)O)O)OC(C(O)3)OC(COC(C)=O)C(C3O)O)O)OC(c(c2)cc(O)c(c2)O)=CC1=O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox