Mol:FL3FF8GS0009

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

FL3FF8GS0009.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 36 39  0  0  0  0  0  0  0  0999 V2000
   -1.5865   -1.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5865   -1.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1354   -2.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6844   -1.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6844   -1.4260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1354   -1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -2.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2178   -1.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2178   -1.4260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -1.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -2.6133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6687   -1.1656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1284   -1.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5881   -1.1656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5881   -0.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1284   -0.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6687   -0.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0477   -1.1184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1354   -2.7270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5030    0.9269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1252    0.5642    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0741    1.2617    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1252    1.9634    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5030    2.3262    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3037    1.6287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7864    2.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5172    2.1897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4006    0.9876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0503   -0.2778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0477   -1.4310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8966   -0.6152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4985    0.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0729    1.9036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8352    1.2563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7452   -1.7560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5671   -1.8280    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
 18  1  1  0  0  0  0
  3 19  1  0  0  0  0
 21 20  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  1  0  0  0
 25 20  1  1  0  0  0
 24 26  1  0  0  0  0
 23 27  1  0  0  0  0
 22 28  1  0  0  0  0
 17 29  1  0  0  0  0
 29 21  1  0  0  0  0
 14 30  1  0  0  0  0
  6 31  1  0  0  0  0
 31 32  1  0  0  0  0
 25 33  1  0  0  0  0
 33 34  1  0  0  0  0
 13 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  33  34
M  SBL   3  1  36
M  SMT   3  CH2OH
M  SVB   3 36   -0.8847    2.2029
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  35  36
M  SBL   2  1  38
M  SMT   2  OCH3
M  SVB   2 38    0.6437   -1.5637
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  31  32
M  SBL   1  1  34
M  SMT   1  OCH3
M  SVB   1 34   -0.8966   -0.6152
S  SKP  8
ID	FL3FF8GS0009
KNApSAcK_ID	C00004530
NAME	5,7,3',6'-Tetrahydroxy-8,2'-dimethoxyflavone 6'-glucoside
CAS_RN	155014-34-9
FORMULA	C23H24O13
EXACTMASS	508.121690854
AVERAGEMASS	508.42886
SMILES	OC(C4O)[C@H](O[C@@H](CO)[C@H]4O)Oc(c3)c(c(c(O)c3)OC)C(=C2)Oc(c(OC)1)c(C2=O)c(cc1O)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox