Mol:FL1C1LNI0002

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

FL1C1LNI0002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 30 31  0  0  0  0  0  0  0  0999 V2000
   -0.8231    0.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8231   -0.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2668   -0.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2895   -0.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2895    0.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2668    0.9612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9564    0.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4001   -0.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125   -0.3027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0734    0.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125   -0.9435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0734    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6260    0.9881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1787    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1787    0.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6260   -0.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6260   -0.9262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7312    0.9880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6260   -0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1787   -0.3501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0735   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5222   -0.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9720   -0.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4231   -0.0324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8741   -0.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9720   -0.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1787   -0.9881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7312   -0.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3792    0.9611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8456    0.9611    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
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  2  8  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  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 10  1  0  0  0  0
 16 17  1  0  0  0  0
 14 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
  4 25  1  0  0  0  0
 23 26  1  0  0  0  0
 20 27  1  0  0  0  0
 20 28  1  0  0  0  0
  1 29  1  0  0  0  0
  5 30  1  0  0  0  0
S  SKP  8
ID	FL1C1LNI0002
KNApSAcK_ID	C00007137
NAME	Kuwanol D
CAS_RN	123702-93-2
FORMULA	C25H28O5
EXACTMASS	408.193674006
AVERAGEMASS	408.48682
SMILES	c(c1)(ccc(C(=O)C=Cc(c2)c(cc(c2CC=C(C)CCC=C(C)C)O)O)c1O)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox