Mol:FL3FELNS0007

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

FL3FELNS0007.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.2410    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2410   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6847   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1284   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1284    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6847    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5721   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0158   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0158    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5721    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5721   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5403    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1072    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6742    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6742    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1072    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5403    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7971    0.4723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0265    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6847   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2410    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9555    1.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9555   -0.3996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2410   -0.8121    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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 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 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  1 18  1  0  0  0  0
 17 19  1  0  0  0  0
  3 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
  2 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  21  22
M  SBL   1  1  23
M  SMT   1 OCH3
M  SBV   1 23   -7.2388    8.3985
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  23  24
M  SBL   2  1  25
M  SMT   2 ^OCH3
M  SBV   2 25   -8.5201    8.1627
S  SKP  8
ID	FL3FELNS0007
KNApSAcK_ID	C00004073
NAME	Tamaridone
CAS_RN	32396-92-2
FORMULA	C17H14O7
EXACTMASS	330.073952802
AVERAGEMASS	330.28886
SMILES	COc(c3)cc(O)c(c3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(OC)c(O)1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox