Mol:FL5FFCNS0025

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

FL5FFCNS0025.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 29 31  0  0  0  0  0  0  0  0999 V2000
   -2.4197   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4197   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8634   -1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3070   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3070   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8634    0.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7507   -1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1944   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1944   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7507    0.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7507   -1.6357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3617    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9286   -0.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4956    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4956    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9286    1.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3617    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120    1.7079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6534    2.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2998   -1.2954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5853   -1.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6716   -1.3137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5376   -1.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7769    0.4474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2769    1.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5853    0.7229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1487    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4956    0.8044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4956    0.8044    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  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
 18 19  1  0  0  0  0
  3 20  1  0  0  0  0
 20 21  1  0  0  0  0
  8 22  1  0  0  0  0
 22 23  1  0  0  0  0
  1 24  1  0  0  0  0
 24 25  1  0  0  0  0
  6 26  1  0  0  0  0
 26 27  1  0  0  0  0
 15 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  2  28  29
M  SBL   6  1  30
M  SMT   6  OCH3
M  SVB   6 30    2.0624    1.1317
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  26  27
M  SBL   5  1  28
M  SMT   5  OCH3
M  SVB   5 28   -1.5853    0.7229
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  24  25
M  SBL   4  1  26
M  SMT   4  OCH3
M  SVB   4 26   -2.7769    0.4474
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  22  23
M  SBL   3  1  24
M  SMT   3  OCH3
M  SVB   3 24    0.0044   -1.0199
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  20  21
M  SBL   2  1  22
M  SMT   2  OCH3
M  SVB   2 22   -2.2998   -1.2954
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  18  19
M  SBL   1  1  20
M  SMT   1  OCH3
M  SVB   1 20     1.212    1.7079
S  SKP  8
ID	FL5FFCNS0025
KNApSAcK_ID	C00004745
NAME	Gossypetin hexamethyl ether;3,5,7,8,3',4'-Hexamethoxyflavone;2-(3,4-Dimethoxyphenyl)-3,5,7,8-tetramethoxy-4H-1-benzopyran-4-one
CAS_RN	7741-47-1
FORMULA	C21H22O8
EXACTMASS	402.13146768
AVERAGEMASS	402.39458
SMILES	COc(c3OC)cc(c(c23)C(C(=C(O2)c(c1)cc(c(c1)OC)OC)OC)=O)OC
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox