Mol:FL5FECNI0001

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

FL5FECNI0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 31 33  0  0  0  0  0  0  0  0999 V2000
   -1.2400   -0.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9685   -0.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3286   -0.8652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0399   -0.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2316    0.2431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8715    0.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6799   -0.3949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0483    0.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7769    0.7134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1369    0.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8916   -0.8489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1451    1.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7973    1.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1728    1.7186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8961    2.3120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2439    2.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8684    1.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0572   -1.4471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8024    2.7346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8797   -0.1711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2711   -0.7468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9094   -0.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2761   -1.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9131   -1.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0059   -1.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0445    0.0442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0407   -0.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2573    3.0109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2781    4.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6546   -1.0283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8328   -1.1002    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
 15 19  1  0  0  0  0
  1 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 21 20  1  0  0  0  0
  8 26  1  0  0  0  0
 26 27  1  0  0  0  0
 16 28  1  0  0  0  0
 28 29  1  0  0  0  0
  2 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  30  31
M  SBL   3  1  32
M  SMT   3  OCH3
M  SVB   3 32   -1.5472   -0.6877
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  28  29
M  SBL   2  1  30
M  SMT   2  OCH3
M  SVB   2 30    2.7989    1.7424
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  26  27
M  SBL   1  1  28
M  SMT   1  OCH3
M  SVB   1 28    1.6027   -0.9641
S  SKP  8
ID	FL5FECNI0001
KNApSAcK_ID	C00005016
NAME	5,4'-Dihydroxy-3,6,3'-trimethoxy-7-prenyloxyflavone
CAS_RN	160036-27-1
FORMULA	C23H24O8
EXACTMASS	428.14711774399996
AVERAGEMASS	428.43186000000003
SMILES	O=C(c32)C(OC)=C(Oc(cc(c(c3O)OC)OCC=C(C)C)2)c(c1)cc(OC)c(O)c1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox