Mol:FLIE1ANP0006

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

FLIE1ANP0006.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 26 30  0  0  0  0  0  0  0  0999 V2000
   -2.6301    1.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6301    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0738    0.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5175    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5175    1.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0738    1.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9612    0.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4049    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9612    1.3686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1512    0.0840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1512   -0.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7460   -0.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3408   -0.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3408    0.0840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7460    0.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9595   -0.6026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1864    1.3686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9350   -0.9459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4049    1.0472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9350    0.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5304   -0.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5304    0.0840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1244    0.4273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1864   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5304   -1.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1513    1.3681    0.0000 O   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
  9  5  1  0  0  0  0
  8 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  1  0  0  0  0
 17  1  1  0  0  0  0
 11 16  1  0  0  0  0
 13 18  1  0  0  0  0
  8 19  1  0  0  0  0
 14 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 20  1  0  0  0  0
 22 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 19  9  1  0  0  0  0
 19 26  2  0  0  0  0
S  SKP  8
ID	FLIE1ANP0006
KNApSAcK_ID	C00010053
NAME	Bavacoumestan A
CAS_RN	129385-63-3
FORMULA	C20H16O6
EXACTMASS	352.094688244
AVERAGEMASS	352.33744
SMILES	c(O)(c1)ccc(c52)c1OC(c(c(c4)c(o5)cc(c43)OC(C)(C)C(O)C3)2)=O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox