Mol:FL1CA9NI0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 26  0  0  0  0  0  0  0  0999 V2000 
    2.2866    0.6323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2866   -0.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8429   -0.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3992   -0.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3992    0.6323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8429    0.9535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0296   -0.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5859   -0.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4735   -0.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0874    0.0025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4735   -0.9719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0874    0.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6400    0.9597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1927    0.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1927    0.0025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6400   -0.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6400   -0.9547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7452    0.9596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7452   -0.3165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2965    0.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8479   -0.3165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3992    0.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8479   -0.9531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4864    0.9719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2008    0.5594    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 16  1  0  0  0  0 
 14 18  1  0  0  0  0 
 15 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 
 12 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  SBV   1 25   -4.7255    4.3873 
S  SKP  8 
ID	FL1CA9NI0003 
KNApSAcK_ID	C00007083 
NAME	2',4'-Dihydroxy-6'-methoxy-3'-prenylchalcone 
CAS_RN	116107-09-6 
FORMULA	C21H22O4 
EXACTMASS	338.151809192 
AVERAGEMASS	338.39698 
SMILES	COc(c2)c(c(c(CC=C(C)C)c(O)2)O)C(=O)C=Cc(c1)cccc1 
M  END