Mol:FL3FE9GS0008

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

FL3FE9GS0008.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 33 36  0  0  0  0  0  0  0  0999 V2000
   -0.6053    1.3187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0272    1.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2469    2.0338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1660    2.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7985    2.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0182    1.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0537    3.1295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3592    3.6216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9917    3.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2114    2.9064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5469    3.2165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4045    4.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1806    4.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6014    5.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2462    5.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4700    4.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0493    3.8883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.7153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2610    0.2199    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7454   -0.4608    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0029   -0.1720    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2865   -0.1643    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8071    0.3565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4567    0.0136    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.9748   -0.1922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5492   -0.4999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5775   -0.8862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0613    0.7107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1084   -0.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2318    2.2075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2166    2.3811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6535    0.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6093    1.1676    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
  1 18  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  1  1  0  0  0
 22 21  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 18  1  0  0  0  0
  2 28  1  0  0  0  0
 28 29  1  0  0  0  0
  3 30  1  0  0  0  0
 30 31  1  0  0  0  0
 24 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  32  33
M  SBL   3  1  35
M  SMT   3  CH2OH
M  SVB   3 35   -2.6535    0.8734
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  30  31
M  SBL   2  1  33
M  SMT   2  OCH3
M  SVB   2 33    0.1795   -1.0073
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  28  29
M  SBL   1  1  31
M  SMT   1  OCH3
M  SVB   1 31   -0.6549   -0.4342
S  SKP  8
ID	FL3FE9GS0008
KNApSAcK_ID	C00004126
NAME	7-Hydroxy-5,6-dimethoxyflavone 7-glucoside
CAS_RN	79198-77-9
FORMULA	C23H24O10
EXACTMASS	460.136946988
AVERAGEMASS	460.43066
SMILES	c(c4)(cccc4)C(=C3)Oc(c(C(=O)3)2)cc(c(c(OC)2)OC)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox