Mol:FL2FACNI0020

From Metabolomics.JP
Jump to: navigation, search

FL2FACNI0020.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
32 34  0  0  0  0  0  0  0  0999 V2000 
   -5.0069   -1.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3031   -1.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5991   -1.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5991   -0.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3031    0.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.0069   -0.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8951   -1.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1911   -1.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1911   -0.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8951    0.2113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4878    0.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8937   -2.1652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7658   -0.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0435    0.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0435    1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7658    1.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4878    1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3017   -2.1660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6776    1.4609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.7102    0.2109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6972   -0.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4166    0.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1343   -0.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8505    0.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1343   -1.0189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5667   -0.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2812    0.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9957   -0.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.7102    0.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9957   -1.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7673    2.1660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5853   -0.5452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0 
  2  3  1  0 
  3  4  2  0 
  4  5  1  0 
  5  6  2  0 
  6  1  1  0 
  3  7  1  0 
  7  8  1  0 
  8  9  1  0 
  9 10  1  0 
 10  4  1  0 
  9 11  1  0 
  7 12  2  0 
 11 13  2  0 
 13 14  1  0 
 14 15  2  0 
 15 16  1  0 
 16 17  2  0 
 17 11  1  0 
  2 18  1  0 
 15 19  1  0 
  6 20  1  0 
 21 22  1  0 
 22 23  2  0 
 23 24  1  0 
 23 25  1  0 
 24 26  1  0 
 26 27  1  0 
 27 28  1  0 
 28 29  1  0 
 28 30  1  0 
 14 21  1  0 
 16 31  1  0 
 28 32  1  0 
S  SKP  7 
ID	FL2FACNI0020 
NAME	Propolin B 
CAS_RN	529510-23-4 
FORMULA	C25H30O7 
EXACTMASS	442.199153314 
AVERAGEMASS	 
SMILES	 
AVERAGEMASS	442.50149999999996 
SMILES	CC(CCCC(C)(C)O)=CCc(c1)c(O)c(O)cc1C(C2)Oc(c3)c(c(O)cc(O)3)C(=O)2 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox