Mol:FL1CHYNI0003

From Metabolomics.JP
Jump to: navigation, search

FL1CHYNI0003.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 26  0  0  0  0  0  0  0  0999 V2000 
   -2.8212    1.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8212    0.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2649    0.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7086    0.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7086    1.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2649    1.3839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1523    0.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5960    0.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0399    0.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5162    0.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0772    0.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6382    0.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6382    1.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0772    1.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5162    1.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1523   -0.4022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0399   -0.5415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3773    1.3838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1990    1.3919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2649   -0.5430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1990    0.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1990   -0.5511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7057   -0.8358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7057   -1.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3773   -0.4480    0.0000 C   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 11  2  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 10  1  0  0  0  0 
  7 16  2  0  0  0  0 
  9 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
 13 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
 12 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 24  1  0  0  0  0 
 23 25  1  0  0  0  0 
S  SKP  8 
ID	FL1CHYNI0003 
KNApSAcK_ID	C00007005 
NAME	Kanzonol A 
CAS_RN	155233-18-4 
FORMULA	C20H20O5 
EXACTMASS	340.13107375 
AVERAGEMASS	340.3698 
SMILES	Oc(c1)cc(O)c(C(CC(=O)c(c2)ccc(O)c2CC=C(C)C)=O)c1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox