Mol:FL2FECNS0006

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

FL2FECNS0006.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.1030   -0.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5822   -1.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0613   -0.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0613   -0.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5822    0.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1030   -0.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5404   -1.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0195   -0.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0195   -0.1832    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5404    0.1175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5009    0.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5404   -1.6093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0352   -0.1913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5696    0.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5696    0.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0352    1.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5009    0.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5822   -1.5498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5696    0.7343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5696    0.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3020    1.6093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7281    2.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4603    0.4356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9603    1.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8175   -0.6726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8054   -0.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 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 11  1  0  0  0  0
  2 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
  6 23  1  0  0  0  0
 23 24  1  0  0  0  0
  1 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  25  26
M  SBL   4  1  27
M  SMT   4  OCH3
M  SVB   4 27   -2.8175   -0.6726
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  23  24
M  SBL   3  1  25
M  SMT   3  OCH3
M  SVB   3 25   -2.4603    0.4356
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  21  22
M  SBL   2  1  23
M  SMT   2  OCH3
M  SVB   2 23     1.302    1.6093
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  21
M  SMT   1  OCH3
M  SVB   1 21     2.103    1.0423
S  SKP  8
ID	FL2FECNS0006
KNApSAcK_ID	C00008416
NAME	5-Hydroxy-6,7,3',4'-tetramethoxyflavanone
CAS_RN	115920-39-3
FORMULA	C19H20O7
EXACTMASS	360.120902994
AVERAGEMASS	360.3579
SMILES	O(C(c(c3)cc(OC)c(OC)c3)2)c(c(C(=O)C2)1)cc(c(c1O)OC)OC
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox