Mol:FLNC29NS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 21 22  0  0  0  0  0  0  0  0999 V2000 
   -0.9742    1.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4179    1.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1382    1.1614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1382    0.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7150    0.1624    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    1.2917    0.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1578   -0.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9742    0.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4179    0.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7150   -0.5031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1620   -0.8223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1620   -1.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7150   -1.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2679   -1.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2679   -0.8223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4294    0.2564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3082   -0.1801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3314    1.7800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8313    2.6461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7150    1.4943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5811    1.9942    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  1  6  0  0  0 
  6  7  2  0  0  0  0 
  1  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9  4  1  0  0  0  0 
  5 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11 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 10  1  0  0  0  0 
  8 16  1  0  0  0  0 
  5 17  1  1  0  0  0 
  1 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  20  21 
M  SBL   2  1  21 
M  SMT   2  OCH3 
M  SVB   2 21     0.715    1.4943 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  18  19 
M  SBL   1  1  19 
M  SMT   1  OCH3 
M  SVB   1 19   -1.3314      1.78 
S  SKP  8 
ID	FLNC29NS0003 
KNApSAcK_ID	C00010264 
NAME	(R)-5-Hydroxy-2,4-dimethoxydalbergiquinol 
CAS_RN	82358-44-9 
FORMULA	C17H18O3 
EXACTMASS	270.12559444199997 
AVERAGEMASS	270.32302 
SMILES	COc(c2)c(O)cc(c(OC)2)[C@]([H])(C=C)c(c1)cccc1 
M  END