Mol:FL1C1ANI0009

From Metabolomics.JP
Jump to: navigation, search

FL1C1ANI0009.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 26  0  0  0  0  0  0  0  0999 V2000 
    1.1809   -0.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1809   -0.9607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7372   -1.2819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2935   -0.9607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2935   -0.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7372    0.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0761   -0.9607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4802   -1.2819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6322   -1.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1931   -0.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6322   -1.9225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1931   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7458    0.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2984   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2984   -0.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7458   -1.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8498    0.0028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7458   -1.9054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7458    0.6472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2984    0.9662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2984    1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8498    1.9225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7471    1.9225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6557    0.3087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1558    1.1747    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 
  7  8  2  0  0  0  0 
  7  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
  2  8  1  0  0  0  0 
 10 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 10  1  0  0  0  0 
 17  5  1  0  0  0  0 
 18 16  1  0  0  0  0 
 13 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21 22  1  0  0  0  0 
 21 23  1  0  0  0  0 
 14 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  24  25 
M  SBL   1  1  25 
M  SMT   1  OCH3 
M  SVB   1 25   -2.6557    0.3087 
S  SKP  8 
ID	FL1C1ANI0009 
KNApSAcK_ID	C00007070 
NAME	Bavachalcone 
CAS_RN	20784-60-5 
FORMULA	C21H22O4 
EXACTMASS	338.151809192 
AVERAGEMASS	338.39698 
SMILES	Oc(c2)ccc(c2)C=CC(=O)c(c1)c(cc(OC)c1CC=C(C)C)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox