Mol:FLID1CNF0002

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

FLID1CNF0002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 28  0  0  0  0  0  0  0  0999 V2000
   -1.9669    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9669    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4106    0.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8543    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8543    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4106    1.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2980    0.1647    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2583    0.4859    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2583    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2980    1.4494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8144    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8144   -0.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4092   -0.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0040   -0.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0040    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4092    0.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2922   -0.5218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5778    1.3267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9554    0.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5778    0.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0040   -0.5220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0040   -0.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9918   -1.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7063   -1.4494    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  1  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
  7 17  1  0  0  0  0
  1  2  1  0  0  0  0
 12 17  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20  2  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
 13 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  23  24
M  SBL   2  1  27
M  SMT   2  OCH3
M  SVB   2 27    0.9918   -1.0369
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  25
M  SMT   1  OCH3
M  SVB   1 25    2.2409   -0.7282
S  SKP  8
ID	FLID1CNF0002
KNApSAcK_ID	C00009641
NAME	Ambonane
CAS_RN	76165-15-6
FORMULA	C19H16O5
EXACTMASS	324.099773622
AVERAGEMASS	324.32734
SMILES	c(c45)c(c1cc4occ5)C(O3)C(c(c32)ccc(c2OC)OC)CO1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox