Mol:FL3F98NS0006

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

FL3F98NS0006.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.6004    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6004   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0441   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4878   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4878    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0441    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0685   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6248   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6248    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0685    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0685   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1809    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7479    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3149    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3149    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7479    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1809    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0441   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3149   -0.3996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6004   -0.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3168   -0.0186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0313   -0.4311    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
  3 18  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 13 21  1  0  0  0  0
 21 22  1  0  0  0  0
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  SBV   1 21   -4.7651    2.9240
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  SBV   2 23   -4.4817    2.6689
S  SKP  8
ID	FL3F98NS0006
KNApSAcK_ID	C00003812
NAME	5-Hydroxy-6,2'-dimethoxyflavone
CAS_RN	16266-96-9
FORMULA	C17H14O5
EXACTMASS	298.084123558
AVERAGEMASS	298.29006
SMILES	COc(c3)c(ccc3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(OC)c1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox