Mol:FL3FECNS0008

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

FL3FECNS0008.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.8838   -0.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8838   -0.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3275   -1.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7712   -0.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7712   -0.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3275    0.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2149   -1.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3414   -0.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3414   -0.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2149    0.1107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2149   -1.6749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8975    0.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4645   -0.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0315    0.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0315    0.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4645    1.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8975    0.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4399    0.1106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5983    1.0925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4645    1.7471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3275   -2.1741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3275   -3.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5983   -0.7614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5902   -0.6344    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
  1 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
  3 21  1  0  0  0  0
 21 22  1  0  0  0  0
  2 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  23  24
M  SBL   2  1  25
M  SMT   2  OCH3
M  SVB   2 25   -2.5983   -0.7614
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  23
M  SMT   1  OCH3
M  SVB   1 23   -1.7639   -1.3346
S  SKP  8
ID	FL3FECNS0008
KNApSAcK_ID	C00003889
NAME	6-Hydroxyluteolin 5,6-dimethyl ether
CAS_RN	88153-47-3
FORMULA	C17H14O7
EXACTMASS	330.073952802
AVERAGEMASS	330.28886
SMILES	COc(c(O)3)c(OC)c(C(=O)2)c(c3)OC(=C2)c(c1)cc(O)c(O)c1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox