Mol:FL2FADNI0004

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

FL2FADNI0004.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.8426   -0.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3217   -1.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8008   -0.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8008   -0.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3217    0.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8426   -0.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2800   -1.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2409   -0.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2409   -0.3004    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2800    0.0003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7613   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2800   -1.7265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2957   -0.3085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8300   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8300    0.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2957    0.9255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7613    0.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3217   -1.8035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8300    0.6170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3635    0.0003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3217    0.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8421    0.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8421    1.5031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    1.8035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3217    1.8035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5624    1.4920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9883    2.3967    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
  2 18  1  0  0  0  0
 15 19  1  0  0  0  0
  6 20  1  0  0  0  0
  5 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 16 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  26  27
M  SBL   1  1  28
M  SMT   1  OCH3
M  SVB   1 28    1.5624     1.492
S  SKP  8
ID	FL2FADNI0004
KNApSAcK_ID	C00008540
NAME	Exiguaflavanone K
CAS_RN	156281-21-9
FORMULA	C21H22O6
EXACTMASS	370.141638436
AVERAGEMASS	370.39578
SMILES	c(c1)(C(C3)Oc(c(CC=C(C)C)2)c(C(=O)3)c(cc(O)2)O)cc(c(O)c1)OC
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox