Mol:FL2FADNP0002

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

FL2FADNP0002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 32 35  0  0  0  0  0  0  0  0999 V2000
   -1.3065   -0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7857   -1.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2648   -0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2648   -0.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7857    0.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3065   -0.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2561   -1.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7770   -0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7770   -0.3001    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2561    0.0006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2974    0.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2561   -1.7262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8317   -0.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3661    0.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3661    0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8317    0.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2974    0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7857   -1.8032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3661    0.6173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8269    0.0003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7857    0.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8269   -1.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3473   -0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3473   -0.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833    0.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8996   -0.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3060    0.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3060    1.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8264    1.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7857    1.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0985    1.4923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5246    2.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 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 11  1  0  0  0  0
  2 18  1  0  0  0  0
 15 19  1  0  0  0  0
  6 20  1  0  0  0  0
  5 21  1  0  0  0  0
  1 22  1  0  0  0  0
 22 23  2  0  0  0  0
 20 24  1  0  0  0  0
 24 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 21 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 16 31  1  0  0  0  0
 31 32  1  0  0  0  0
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    2.0985    1.4923
S  SKP  8
ID	FL2FADNP0002
KNApSAcK_ID	C00008514
NAME	3'-Methoxylupinifolin
CAS_RN	144049-80-9
FORMULA	C26H28O6
EXACTMASS	436.188588628
AVERAGEMASS	436.49692
SMILES	O(c(c4O)cc(cc4)C(O3)CC(=O)c(c31)c(c(C=2)c(OC(C2)(C)C)c1CC=C(C)C)O)C
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox