Mol:FLIA3ANS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 24  0  0  0  0  0  0  0  0999 V2000 
   -2.1831    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1831    0.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6268   -0.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0705    0.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0705    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6268    1.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5142   -0.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0421    0.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0421    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5142    1.0086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7392    1.0084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5982   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5982   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1930   -1.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7878   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7878   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1930    0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5142   -0.9183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3488    1.5816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9123    2.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6538   -1.4628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5199   -1.9628    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 
  1 11  1  0  0  0  0 
  8 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 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  7 18  2  0  0  0  0 
  6 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 15 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  21  22 
M  SBL   2  1  23 
M  SMT   2  OCH3 
M  SVB   2 23    2.0247   -1.1691 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  19  20 
M  SBL   1  1  21 
M  SMT   1  OCH3 
M  SVB   1 21   -1.3488    1.5816 
S  SKP  8 
ID	FLIA3ANS0002 
KNApSAcK_ID	C00009400 
NAME	8-O-Methylretusin 
CAS_RN	37816-20-9 
FORMULA	C17H14O5 
EXACTMASS	298.084123558 
AVERAGEMASS	298.29006 
SMILES	COc(c3)ccc(c3)C(=C2)C(=O)c(c1)c(O2)c(OC)c(O)c1 
M  END