Mol:FLIG1LNI0005

From Metabolomics.JP
Jump to: navigation, search

FLIG1LNI0005.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
   -2.8431    0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8431   -0.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2868   -0.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7305   -0.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7305    0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2868    0.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1742   -0.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6179   -0.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6179    0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1742    0.4765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0618   -0.8081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0618   -1.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5330   -1.8383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1278   -1.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1278   -0.8081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5330   -0.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1725   -1.4946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7843   -1.8739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5394    0.1554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2868   -1.4503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3992    0.4764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7220   -0.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3162   -0.8081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9104   -0.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9104    0.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5046   -0.8081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2868    1.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8961    1.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8961    2.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2876    2.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5046    2.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5330   -2.5244    0.0000 O   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  2  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  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 
  9 19  1  0  0  0  0 
 19 16  1  0  0  0  0 
  3 20  1  0  0  0  0 
  1 21  1  0  0  0  0 
 15 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 24 25  1  0  0  0  0 
 24 26  1  0  0  0  0 
  6 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 
 13 32  1  0  0  0  0 
S  SKP  8 
ID	FLIG1LNI0005 
KNApSAcK_ID	C00010069 
NAME	Euchretin B 
CAS_RN	125002-85-9 
FORMULA	C25H24O7 
EXACTMASS	436.152203122 
AVERAGEMASS	436.45385999999996 
SMILES	c(O)(c4)c(O)c(c(c43)oc(c32)Oc(c1C(=O)2)c(c(O)cc1O)CC=C(C)C)CC=C(C)C 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox