Mol:FL3FFCNSS001

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

FL3FFCNSS001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.2998   -0.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2998   -0.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8488   -1.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3977   -0.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3977   -0.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8488    0.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0534   -1.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5044   -0.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5044   -0.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0534    0.0085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0534   -1.4393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9553    0.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4150   -0.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8748    0.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8748    0.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4150    0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9553    0.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4150    1.4084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8488   -1.5529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8146    0.3099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8146    0.9680    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2987    0.9680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8146    1.5529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4960    0.9680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4960    0.6399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8302    0.5279    0.0000 O   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
  3 19  1  0  0  0  0
 20 21  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
  1 20  1  0  0  0  0
 25 15  1  0  0  0  0
  6 26  1  0  0  0  0
S  SKP  8
ID	FL3FFCNSS001
KNApSAcK_ID	C00004428
NAME	8-Hydroxyluteolin 7-sulfate
CAS_RN	56857-58-0
FORMULA	C15H10O10S
EXACTMASS	381.99946723
AVERAGEMASS	382.2999
SMILES	Oc(c3)c(O)cc(c3)C(=C2)Oc(c(O)1)c(C(=O)2)c(O)cc(OS(O)(=O)=O)1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox