Mol:FLIAALNF0003

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

FLIAALNF0003.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.1192    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1192    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5629   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0066    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0066    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5629    1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5497   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1060    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1060    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5497    1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2569   -1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8516   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8516   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2569    0.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7302    1.0347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1077    0.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7302   -0.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5629   -0.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5497   -0.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4458   -1.1571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7499    0.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0709    1.0711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0709   -0.0411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2569    0.9023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    0.5150    0.0000 O   0  0  0  0  0  0  0  0  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  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 16  1  0  0  0  0
 16 11  2  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  2  1  0  0  0  0
  3 20  1  0  0  0  0
  7 21  2  0  0  0  0
 14 22  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 16 26  1  0  0  0  0
 23 27  1  0  0  0  0
S  SKP  8
ID	FLIAALNF0003
KNApSAcK_ID	C00009838
NAME	Lupinisoflavone B
CAS_RN	91681-64-0
FORMULA	C20H18O7
EXACTMASS	370.10525293
AVERAGEMASS	370.35272
SMILES	c(C3=O)(c(OC=C(c(c4)c(O)cc(O)c4)3)2)c(O)c(c1c2)CC(C(C)(C)O)O1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox