Mol:FLII1CNS0005

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

FLII1CNS0005.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.2556    0.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2556    0.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6993   -0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1430    0.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1430    0.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6993    1.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5867   -0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0304    0.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5257   -0.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5849   -0.8147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5257   -0.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1025   -1.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -0.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -0.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1025    0.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2556    0.1840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5869    1.1358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1276    0.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5452   -1.3147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4112   -1.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6128    1.4334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1128    2.2994    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  2  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 10  1  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  9  1  0  0  0  0
 14 16  1  0  0  0  0
  5 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  21  22
M  SBL   3  1  23
M  SMT   3  OCH3
M  SVB   3 23   -2.6128    1.4334
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  19  20
M  SBL   2  1  21
M  SMT   2  OCH3
M  SVB   2 21    1.8983   -1.0209
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  17  18
M  SBL   1  1  19
M  SMT   1  OCH3
M  SVB   1 19   -0.5869    1.1358
S  SKP  8
ID	FLII1CNS0005
KNApSAcK_ID	C00010075
NAME	Methylsainfuran;2-(2',4'-Dimethoxyphenyl)-5-hydroxy-6-methoxybenzofuran
CAS_RN	94190-37-1
FORMULA	C17H16O5
EXACTMASS	300.099773622
AVERAGEMASS	300.30593999999996
SMILES	COc(c3)cc(OC)c(c3)c(c1)oc(c2)c(cc(O)c(OC)2)1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox