Mol:FLIHBANP0002

From Metabolomics.JP
Revision as of 09:00, 14 March 2009 by Editor (Talk | contribs)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search

FLIHBANP0002.png

 
 
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
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox