Mol:FLIA1GNP0001

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

FLIA1GNP0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 28 32  0  0  0  0  0  0  0  0999 V2000
   -1.9587    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9587   -0.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4024   -0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8461   -0.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8461    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4024    0.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2898   -0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2665   -0.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2665    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2898    0.7937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8226   -0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8226   -1.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174   -1.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0122   -1.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0122   -0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174   -0.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2898   -1.1331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5148    0.7936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4024    1.4359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9585    1.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5148    1.4361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0691    1.1161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5148    2.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6654   -1.3899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0691   -0.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6654   -0.2786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0001   -1.6926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7145   -2.1051    0.0000 C   0  0  0  0  0  0  0  0  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
  8 11  1  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 16  1  0  0  0  0
 16 11  2  0  0  0  0
  1  2  1  0  0  0  0
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 18  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 14 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 15  1  0  0  0  0
 13 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  27  28
M  SBL   1  1  31
M  SMT   1 OCH3
M  SBV   1 31   -5.0944    4.0341
S  SKP  8
ID	FLIA1GNP0001
KNApSAcK_ID	C00009886
NAME	Isojamaicin;3'-Methoxy-4',5'-methylenedioxy-6'',6''-dimethylpyrano[2'',3'':7,8]isoflavone
CAS_RN	124596-68-5
FORMULA	C22H18O6
EXACTMASS	378.110338308
AVERAGEMASS	378.37472
SMILES	O(C5)c(c1O5)c(cc(C(C4=O)=COc(c34)c(C=2)c(cc3)OC(C2)(C)C)c1)OC
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox