Mol:FL2FA9NI0008

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

FL2FA9NI0008.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.6796   -0.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6796   -0.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1233   -1.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5670   -0.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5670   -0.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1233    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0107   -1.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5456   -0.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5456   -0.3211    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0107    0.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1017   -0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6687   -0.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2357   -0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2357    0.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6687    0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1017    0.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0107   -1.8284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1233   -1.9268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1233    0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6796    0.9636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6796    1.6057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2357    1.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1235    1.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0368    0.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5368    1.1636    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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 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
  6 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
  1 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  24  25
M  SBL   1  1  26
M  SMT   1  OCH3
M  SVB   1 26   -2.0368    0.2976
S  SKP  8
ID	FL2FA9NI0008
KNApSAcK_ID	C00008177
NAME	Tephrinone
CAS_RN	75350-44-6
FORMULA	C21H22O4
EXACTMASS	338.151809192
AVERAGEMASS	338.39698
SMILES	COc(c3)c(CC=C(C)C)c(c(c(O)3)2)OC(CC(=O)2)c(c1)cccc1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox