Mol:FL4DALNI0002

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

FL4DALNI0002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 37 39  0  0  0  0  0  0  0  0999 V2000
   -1.0762   -0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5553   -1.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0344   -0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0344   -0.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5553    0.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0762   -0.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4865   -1.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0074   -0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0074   -0.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4865    0.0006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4865   -1.7262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5553   -1.8032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5914    0.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1134   -0.2642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6353    0.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6353    0.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1134    0.9410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5914    0.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1572    0.9410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5434   -1.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5971    0.0006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5553    0.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0757    0.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0757    1.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5960    1.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5553    1.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5960    0.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1164    0.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6368    0.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1572    0.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6368    0.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5966   -1.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1169   -0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6361   -1.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1553   -0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6361   -1.8009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0699    0.9409    0.0000 O   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
  7 11  2  0  0  0  0
  2 12  1  0  0  0  0
  9 13  1  6  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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
  8 20  1  1  0  0  0
  6 21  1  0  0  0  0
  5 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 23 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
  1 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 18 37  1  0  0  0  0
S  SKP  8
ID	FL4DALNI0002
KNApSAcK_ID	C00008644
NAME	Kushenol M
CAS_RN	101236-51-5
FORMULA	C30H36O7
EXACTMASS	508.246103506
AVERAGEMASS	508.60264000000006
SMILES	c(c1)c(cc(O)c1C(C3O)Oc(c2CC(CC=C(C)C)C(C)=C)c(C3=O)c(O)c(CC=C(C)C)c2O)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox