Mol:FL3FAENSS002

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

FL3FAENSS002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.0146   -0.7582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0146   -1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5635   -1.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125   -1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125   -0.7582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5635   -0.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6614   -1.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2103   -1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2103   -0.7582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6614   -0.4978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6614   -1.9455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2406   -0.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7003   -0.7633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1600   -0.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1600    0.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7003    0.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2406    0.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7003    0.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4647   -0.4983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5635   -2.0592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6537    1.5023    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2812    1.5023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6779    2.0592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0356    1.5023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7502    0.3737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4647   -0.0388    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
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  2  0  0  0  0
 18 21  1  0  0  0  0
 15 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  25  26
M  SBL   1  1  27
M  SMT   1 OCH3
M  SBV   1 27   -6.6960    3.5940
S  SKP  8
ID	FL3FAENSS002
KNApSAcK_ID	C00004367
NAME	Luteolin 4'-methyl ether 3'-sulfate
CAS_RN	59176-63-5
FORMULA	C16H12O9S
EXACTMASS	380.020202672
AVERAGEMASS	380.32708
SMILES	COc(c3)c(cc(c3)C(=C1)Oc(c2)c(c(O)cc(O)2)C(=O)1)OS(O)(=O)=O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox