Mol:FL2F1ANP0004

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

FL2F1ANP0004.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 29 33  0  0  0  0  0  0  0  0999 V2000
   -1.8455   -1.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3246   -1.4613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8037   -1.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8037   -0.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3246   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8455   -0.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2828   -1.4613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2380   -1.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2380   -0.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2828   -0.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7584   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2828   -1.9852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2928   -0.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8271   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8271    0.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2928    0.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7584    0.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3664   -0.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3246    0.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8455    0.6438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3664    0.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8963    0.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9758    0.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3615    0.6669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3615    1.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8271    1.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2928    1.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9758    1.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5494    1.9852    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  4  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 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 17  2  0  0  0  0
 17 11  1  0  0  0  0
  6 18  1  0  0  0  0
  5 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 18  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 15 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 16  1  0  0  0  0
 25 28  1  0  0  0  0
 25 29  1  0  0  0  0
S  SKP  8
ID	FL2F1ANP0004
KNApSAcK_ID	C00008432
NAME	Xambioona
CAS_RN	82345-36-6
FORMULA	C25H24O4
EXACTMASS	388.167459256
AVERAGEMASS	388.45565999999997
SMILES	c(C3=O)(c5)c(c(C=4)c(c5)OC(C4)(C)C)OC(C3)c(c2)ccc(c21)OC(C=C1)(C)C
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox