Mol:FL1C1ANI0018

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

FL1C1ANI0018.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 29 31  0  0  0  0  0  0  0  0999 V2000
    2.8927    0.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8927   -0.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4490   -0.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0053   -0.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0053    0.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4490    0.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7595   -0.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3158   -0.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2034   -0.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6424   -0.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2034   -1.1508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6424    0.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0898    0.7808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4628    0.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4628   -0.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0898   -0.4955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0898   -1.1335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5614    0.7538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0155    0.7808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5681    0.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5681   -0.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0155   -0.4955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5681    1.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1679    0.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7669    0.4612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3658    0.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9636    0.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5614    0.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9636    1.1508    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
 16 17  1  0  0  0  0
  5 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 15  1  0  0  0  0
 20 23  1  0  0  0  0
 20 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 28  1  0  0  0  0
 27 29  1  0  0  0  0
S  SKP  8
ID	FL1C1ANI0018
KNApSAcK_ID	C00007126
NAME	Lespeol
CAS_RN	74174-28-0
FORMULA	C25H26O4
EXACTMASS	390.18310931999997
AVERAGEMASS	390.47153999999995
SMILES	Oc(c3)ccc(c3)C=CC(c(c2)c(c(c(c2)1)C=CC(CCC=C(C)C)(O1)C)O)=O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox