Mol:FL2FA8NI0001

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

FL2FA8NI0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 30 32  0  0  0  0  0  0  0  0999 V2000
   -1.4022   -1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4022   -1.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8459   -2.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2896   -1.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2896   -1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8459   -0.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -2.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8230   -1.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8230   -1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -0.7588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3791   -0.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9461   -1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5130   -0.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5130   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9461    0.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3791   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -2.5873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8459   -2.6856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583   -0.7589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8459    0.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4020    0.7613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4020    1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8123    0.2231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9581    0.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5130    0.7606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9581   -0.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9581    1.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9581    2.3652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4032    2.6856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5130    2.6856    0.0000 C   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  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 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 11  1  0  0  0  0
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 16 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 22 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
S  SKP  8
ID	FL2FA8NI0001
KNApSAcK_ID	C00008270
NAME	Kushenol A
CAS_RN	99217-63-7
FORMULA	C25H28O5
EXACTMASS	408.193674006
AVERAGEMASS	408.48682
SMILES	c(c3O)c(c(C(=O)2)c(c3CC(C(C)=C)CC=C(C)C)OC(C2)c(c1O)cccc1)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox