Mol:FL2FA9NI0017

From Metabolomics.JP
Jump to: navigation, search

FL2FA9NI0017.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
   -1.5764   -1.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0555   -1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5346   -1.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5346   -0.5728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0555   -0.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5764   -0.5728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0137   -1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5072   -1.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5072   -0.5728    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.0137   -0.2721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0275   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0137   -1.9989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5619   -0.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0962   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0962    0.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5619    0.6532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0275    0.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0555    0.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5759    0.6293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5759    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0962    1.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0555    1.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5759    2.0036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4717   -1.7971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6498   -1.8691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9336    0.0460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4335    0.9121    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 
  3  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  4  1  0  0  0  0 
  9 11  1  0  0  0  0 
  7 12  2  0  0  0  0 
 11 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 17  2  0  0  0  0 
 17 11  1  0  0  0  0 
  5 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 20 22  1  0  0  0  0 
 20 23  1  0  0  0  0 
  2 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
  6 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  26  27 
M  SBL   2  1  28 
M  SMT   2  OCH3 
M  SVB   2 28   -1.9336     0.046 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  24  25 
M  SBL   1  1  26 
M  SMT   1  OCH3 
M  SVB   1 26   -1.5689   -1.5911 
S  SKP  8 
ID	FL2FA9NI0017 
KNApSAcK_ID	C00008423 
NAME	Quercetol C 
CAS_RN	119061-08-4 
FORMULA	C22H24O5 
EXACTMASS	368.162373878 
AVERAGEMASS	368.42296000000005 
SMILES	c(c(OC)1)c(OC)c(C(=O)2)c(OC(c(c3)cccc3)C2)c1C=CC(C)(C)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox