Mol:FLIAAANI0013

From Metabolomics.JP
Jump to: navigation, search

FLIAAANI0013.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 33  0  0  0  0  0  0  0  0999 V2000 
   -2.0479   -1.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3817   -0.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3817    0.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0479    0.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7140    0.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7140   -0.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7156   -1.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0495   -0.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0495    0.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7156    0.3945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6621   -1.1701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6621   -1.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3264   -2.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9907   -1.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9907   -1.1701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3264   -0.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0479    0.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6230    1.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6230    2.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1647    2.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1961    2.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7156   -1.7874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0479   -1.7215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2734    0.3330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8794    0.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5110   -2.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6690   -0.7784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6690   -0.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3437    0.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3437    0.9867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8794   -0.0221    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 
  2  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  3  1  0  0  0  0 
  8 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 
  4 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 20  1  0  0  0  0 
 19 21  1  0  0  0  0 
  7 22  2  0  0  0  0 
  1 23  1  0  0  0  0 
  5 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 14 26  1  0  0  0  0 
 15 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
 28 29  2  0  0  0  0 
 29 30  1  0  0  0  0 
 29 31  1  0  0  0  0 
S  SKP  8 
ID	FLIAAANI0013 
KNApSAcK_ID	C00011152 
NAME	7-O-Methylisolupalbigenin 
CAS_RN	405297-97-4 
FORMULA	C26H28O5 
EXACTMASS	420.193674006 
AVERAGEMASS	420.49752 
SMILES	c(C(C(=O)3)=COc(c32)c(CC=C(C)C)c(cc2O)OC)(c1)ccc(c1CC=C(C)C)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox