Mol:FLIHBANP0002

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

FLIHBANP0002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 32 35  0  0  0  0  0  0  0  0999 V2000
   -1.5045   -0.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5045   -0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9482   -1.0695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3919   -0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3919   -0.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9482    0.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1644   -1.0695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7207   -0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7207   -0.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1644    0.2152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2768   -1.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2768   -1.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8716   -2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4663   -1.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4663   -1.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8716   -0.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2768    0.2151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0608    0.2152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6171   -0.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6171   -0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0608   -1.0695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6171    0.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1302   -0.4022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1644   -1.7117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1302   -2.1395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9482    0.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3921    1.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3921    1.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9470    2.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1628    2.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3847   -1.2301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6702   -1.6426    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  2  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
  1  2  1  0  0  0  0
  9 17  2  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21  2  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
  7 24  1  0  0  0  0
 25 14  1  0  0  0  0
  6 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
  3 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  31  32
M  SBL   1  1  34
M  SMT   1 OCH3
M  SBV   1 34   -5.2987    3.9203
S  SKP  8
ID	FLIHBANP0002
KNApSAcK_ID	C00009793
NAME	Lonchocarpic acid;Chandanin
CAS_RN	5490-47-1
FORMULA	C26H26O6
EXACTMASS	434.172938564
AVERAGEMASS	434.48103999999995
SMILES	C(c41)=CC(Oc1c(CC=C(C)C)c(O2)c(c4OC)C(=C(c(c3)ccc(c3)O)C(=O)2)O)(C)C
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox