Mol:FL2F19NI0005

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

FL2F19NI0005.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.5764   -0.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0555   -1.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5346   -0.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5346   -0.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0555   -0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5764   -0.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0137   -1.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5072   -0.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5072   -0.3386    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0137   -0.0379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0275   -0.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0137   -1.7647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5619   -0.3467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0962   -0.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0962    0.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5619    0.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0275    0.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0555    0.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5759    0.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5759    1.4643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0555    1.7647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0962    1.7647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9336    0.2801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4336    1.1461    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
  3  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  4  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
  5 18  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
 20 22  1  0  0  0  0
  6 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  23  24
M  SBL   1  1  25
M  SMT   1  OCH3
M  SVB   1 25   -1.9336    0.2801
S  SKP  8
ID	FL2F19NI0005
KNApSAcK_ID	C00008393
NAME	Isoderricin A
CAS_RN	38965-75-2
FORMULA	C21H22O3
EXACTMASS	322.15689456999996
AVERAGEMASS	322.39758
SMILES	C(C1)(c(c3)cccc3)Oc(c(CC=C(C)C)2)c(ccc2OC)C(=O)1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox