Mol:FLIA3CNS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
   -2.1831    0.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1831    0.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6268   -0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0705    0.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0705    0.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6268    1.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5142   -0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0421    0.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0421    0.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5142    1.2139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5982   -0.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5982   -0.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1930   -1.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7878   -0.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7878   -0.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1930    0.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5142   -0.7129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7392    1.2138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1930   -1.7870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3488    1.7870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9124    2.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6538   -1.2575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5199   -1.7575    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  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  8 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 
  1 18  1  0  0  0  0 
 13 19  1  0  0  0  0 
  6 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 14 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  22  23 
M  SBL   2  1  24 
M  SMT   2  OCH3 
M  SVB   2 24    2.0247   -0.9637 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  20  21 
M  SBL   1  1  22 
M  SMT   1  OCH3 
M  SVB   1 22   -1.3488     1.787 
S  SKP  8 
ID	FLIA3CNS0002 
KNApSAcK_ID	C00009408 
NAME	3'-Hydroxy-8-O-methylretusin 
CAS_RN	53947-99-2 
FORMULA	C17H14O6 
EXACTMASS	314.07903818 
AVERAGEMASS	314.28945999999996 
SMILES	COc(c3)c(O)cc(c3)C(=C2)C(=O)c(c1)c(O2)c(OC)c(O)c1 
M  END