Mol:FL2F1ANI0007

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

FL2F1ANI0007.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.1306    0.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1306   -0.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5743   -0.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0180   -0.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0180    0.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5743    0.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5383   -0.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0946   -0.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0946    0.1505    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5383    0.4717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6507    0.4716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2177    0.1443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    0.4716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    1.1263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2177    1.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6507    1.1263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5383   -1.3568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3514    1.4535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6867   -0.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2416   -0.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7965   -0.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7965   -1.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3514   -0.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4879    0.7693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9879    1.6353    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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
 14 18  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
  1 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  24  25
M  SBL   1  1  26
M  SMT   1  OCH3
M  SVB   1 26   -1.4879    0.7693
S  SKP  8
ID	FL2F1ANI0007
KNApSAcK_ID	C00008248
NAME	Bavachinin
CAS_RN	19879-30-2
FORMULA	C21H22O4
EXACTMASS	338.151809192
AVERAGEMASS	338.39698
SMILES	Oc(c1)ccc(C(C3)Oc(c2C(=O)3)cc(OC)c(c2)CC=C(C)C)c1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox