Mol:FL1DA9NC0008

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

FL1DA9NC0008.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 36 38  0  0  0  0  0  0  0  0999 V2000
   -0.8360   -0.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8360   -1.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2820   -1.4838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2720   -1.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2720   -0.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2820   -0.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8257   -1.4837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3782   -1.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9296   -1.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4797   -1.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0181   -1.4762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5565   -1.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5565   -0.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0181   -0.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4797   -0.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8257   -2.1217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2820   -2.1232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2879    0.8580    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8595    1.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8595    1.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3994    2.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9394    1.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9394    1.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3994    0.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8613   -0.1840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8613    0.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2720    1.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2782    1.0466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4788    0.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0182    1.1880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4788    0.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5565    0.8773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3201    2.1229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1851    0.5343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3834   -0.9835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0905   -1.6906    0.0000 C   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
  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 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  7 16  2  0  0  0  0
  3 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  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
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 18  6  1  0  0  0  0
  5 25  1  0  0  0  0
 26 27  2  0  0  0  0
 27 18  1  0  0  0  0
 26 28  1  0  0  0  0
 23 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  1  0  0  0  0
 20 33  1  0  0  0  0
 26 34  1  0  0  0  0
  1 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  35  36
M  SBL   2  1  37
M  SMT   2  OCH3
M  SVB   2 37   -1.1932    0.0945
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  30  32
M  SBL   1  1  32
M  SMT   1  OCH3
M  SVB   1 32   -3.0182     1.188
S  SKP  8
ID	FL1DA9NC0008
KNApSAcK_ID	C00007971
NAME	Piperaduncin A
CAS_RN	155023-54-4
FORMULA	C29H30O7
EXACTMASS	490.199153314
AVERAGEMASS	490.5443
SMILES	Oc(c2)c(c(c(C(C=C(C)C)c(c3)c(O)ccc3C(=O)OC)c2OC)O)C(=O)CCc(c1)cccc1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox