Mol:FL2F1AGS0001

From Metabolomics.JP
Jump to: navigation, search

FL2F1AGS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 33  0  0  0  0  0  0  0  0999 V2000 
   -3.5010   -0.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5010   -0.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9447   -1.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3884   -0.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3884   -0.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9447    0.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8321   -1.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2758   -0.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2758   -0.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8321    0.0699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7197    0.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1527   -0.2576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4143    0.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4143    0.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1527    1.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7197    0.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8321   -1.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0573    0.0699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9811    1.0517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1029    1.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7963    0.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3860    1.1440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9792    0.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2859    1.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6962    1.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5334    1.3540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9390    1.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7283    1.2511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3428    1.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0573    0.5897    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  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  9 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 
 18  1  1  0  0  0  0 
 14 19  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  1  0  0  0 
 22 23  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 20  1  0  0  0  0 
 20 26  1  0  0  0  0 
 25 27  1  0  0  0  0 
 24 28  1  0  0  0  0 
 21 19  1  0  0  0  0 
 23 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  32 
M  SMT   1 CH2OH 
M  SBV   1 32   -6.2888    5.0967 
S  SKP  8 
ID	FL2F1AGS0001 
KNApSAcK_ID	C00008193 
NAME	Liquiritin 
CAS_RN	551-15-5 
FORMULA	C21H22O9 
EXACTMASS	418.126382302 
AVERAGEMASS	418.39398 
SMILES	c(c1C(C4)Oc(c3C(=O)4)cc(O)cc3)cc(OC(O2)C(O)C(O)C(O)C2CO)cc1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox