Mol:FLND4ANS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 24  0  0  0  0  0  0  0  0999 V2000 
   -0.9335    1.3425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3772    1.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1789    1.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1789    0.6767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7556    0.3437    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    1.3323    0.6767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3323    1.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0423    1.8471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9335    0.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3772    0.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7556   -0.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2027   -0.6410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2027   -1.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7556   -1.5987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3085   -1.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3085   -0.6410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3888    0.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3888   -0.0219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7556   -2.2367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0992    2.2367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3373    3.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2908    1.9613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7908    2.8273    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  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  6  0  0  0 
  6  7  2  0  0  0  0 
  8  3  2  0  0  0  0 
  1  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  4  2  0  0  0  0 
  5 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 
  9 17  2  0  0  0  0 
  5 18  1  1  0  0  0 
 14 19  1  0  0  0  0 
  2 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
  1 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  23 
M  SMT   2  OCH3 
M  SVB   2 23   -1.2908    1.9613 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  20  21 
M  SBL   1  1  21 
M  SMT   1  OCH3 
M  SVB   1 21   -0.0992    2.2367 
S  SKP  8 
ID	FLND4ANS0001 
KNApSAcK_ID	C00010256 
NAME	(R)-4'-Hydroxy-3,4-dimethoxydalbergione 
CAS_RN	69471-24-5 
FORMULA	C17H16O5 
EXACTMASS	300.099773622 
AVERAGEMASS	300.30593999999996 
SMILES	COc(c(=O)2)c(OC)c(=O)c(c2)[C@]([H])(C=C)c(c1)ccc(O)c1 
M  END