Mol:FL1DBCNI0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 33  0  0  0  0  0  0  0  0999 V2000 
    2.6913    0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6913   -0.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1560   -0.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6208   -0.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6208    0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1560    0.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1237   -0.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6593    0.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1949   -0.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7317   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1949   -0.8024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7317    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2482    0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2354    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2354   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2482   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2482   -0.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7188    0.8374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0852    0.7848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0852   -0.2881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7188   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2011   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6834   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1644   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6455   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1254   -0.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6834   -0.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6053   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0852   -0.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6053   -0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2152    0.8374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9296    0.4249    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 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
  2  7  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 
 16 17  1  0  0  0  0 
 14 18  1  0  0  0  0 
  5 19  1  0  0  0  0 
  4 20  1  0  0  0  0 
 15 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 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 23 27  1  0  0  0  0 
 26 28  2  0  0  0  0 
 28 29  1  0  0  0  0 
 28 30  1  0  0  0  0 
 12 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  32 
M  SMT   1 OCH3 
M  SBV   1 32   -4.3287    4.9002 
S  SKP  8 
ID	FL1DBCNI0001 
KNApSAcK_ID	C00008021 
NAME	3'-Geranyl-3,4,2',4'-tetrahydroxy-6'-methoxydihydrochalcone 
CAS_RN	122585-63-1 
FORMULA	C26H32O6 
EXACTMASS	440.219888756 
AVERAGEMASS	440.52867999999995 
SMILES	c(c2O)(c(OC)cc(c2CC=C(CCC=C(C)C)C)O)C(CCc(c1)cc(O)c(c1)O)=O 
M  END