Mol:FLIAEANS0009

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

FLIAEANS0009.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 26  0  0  0  0  0  0  0  0999 V2000
   -3.0709    0.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4504    0.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9963    0.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1624    1.0769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7830    1.2431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2372    0.7889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083    1.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8745    2.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4950    2.3178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9492    1.8636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4205    2.6056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7571    2.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2714    2.9135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4492    3.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1126    3.7547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5982    3.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0880    1.3649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3759    0.2902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8353   -0.6067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1595   -0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2579    4.2841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9650    4.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7611   -0.0165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7270   -0.2754    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
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
  1 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  23  24
M  SBL   3  1  25
M  SMT   3  OCH3
M  SVB   3 25   -2.4612    1.4439
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  21  22
M  SBL   2  1  23
M  SMT   2  OCH3
M  SVB   2 23    2.1039   -1.0314
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  21
M  SMT   1  OCH3
M  SVB   1 21   -2.8184    0.2742
S  SKP  8
ID	FLIAEANS0009
KNApSAcK_ID	C00009469
NAME	7,4'-Di-O-methyltectorigenin;5-Hydroxy-6,7,4'-trimethoxyisoflavone
CAS_RN	13186-08-8
FORMULA	C18H16O6
EXACTMASS	328.094688244
AVERAGEMASS	328.31604
SMILES	c(C(C3=O)=COc(c23)cc(c(c2O)OC)OC)(c1)ccc(OC)c1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox