Mol:FL1DA9NR0008

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

FL1DA9NR0008.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 31 34  0  0  0  0  0  0  0  0999 V2000
   -2.2326   -1.4916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6434   -1.8317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0543   -1.4916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0543   -0.8113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6434   -0.4711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2326   -0.8113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3973   -1.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2134   -1.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8529   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4347   -1.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0154   -1.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5960   -1.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5960   -0.8812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0154   -0.5459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4347   -0.8812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3973   -2.3827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6434   -2.3006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5634   -0.3204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8785    0.2982    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5642    0.1896    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6298    0.9463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0666    1.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7523    1.3772    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0011    0.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0850    0.1896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3245    0.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0079    1.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8571    2.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5960    1.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5898   -0.1925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0897    0.6736    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 11  2  0  0  0  0
 11 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 10  1  0  0  0  0
  7 16  2  0  0  0  0
  2 17  1  0  0  0  0
  4 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  5  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 20  1  0  0  0  0
 20 25  1  1  0  0  0
 19 26  1  1  0  0  0
 23 27  1  1  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
  6 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  30  31
M  SBL   1  1  33
M  SMT   1  OCH3
M  SVB   1 33   -2.5898   -0.1925
S  SKP  8
ID	FL1DA9NR0008
KNApSAcK_ID	C00008112
NAME	Adunctin B
CAS_RN	151484-74-1
FORMULA	C26H30O4
EXACTMASS	406.21440944799997
AVERAGEMASS	406.51399999999995
SMILES	c(c4)c(ccc4)CCC(=O)c(c31)c(O)cc(OC)c([C@@]([H])([C@](O3)(C)2)C[C@@H](C(C)C)C=C2)1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox