Mol:FL1C1ANI0011

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

FL1C1ANI0011.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 29 30  0  0  0  0  0  0  0  0999 V2000
    1.1774    0.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1774   -0.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7337   -0.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2900   -0.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2900    0.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7337    0.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0796   -0.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4767   -0.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6357   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966    0.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6357   -0.9658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966    0.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7493    0.9658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3019    0.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3019    0.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7493   -0.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8463    0.9596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7493   -0.9486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8544    0.9657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8461   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4010   -0.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9547   -0.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5084   -0.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9547   -0.9637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8544   -0.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4058    0.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9571   -0.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5084    0.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9571   -0.9470    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
  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
 17  5  1  0  0  0  0
 18 16  1  0  0  0  0
 14 19  1  0  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 15 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
S  SKP  8
ID	FL1C1ANI0011
KNApSAcK_ID	C00007072
NAME	Kanzonol C
CAS_RN	151135-82-9
FORMULA	C25H28O4
EXACTMASS	392.19875938399997
AVERAGEMASS	392.48742
SMILES	C(=Cc(c2)cc(c(O)c2)CC=C(C)C)C(=O)c(c(O)1)ccc(O)c(CC=C(C)C)1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox