Mol:FLNC49NS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 23  0  0  0  0  0  0  0  0999 V2000 
   -0.9136    1.0235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3573    1.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1988    1.0236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1988    0.3577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7756    0.0247    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    1.3523    0.3577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3523    1.0236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0622    1.5281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9136    0.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3573    0.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7756   -0.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2226   -0.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2226   -1.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7756   -1.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3285   -1.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3285   -0.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3688    0.1187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3688   -0.3178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0792    1.9177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3574    2.8173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2708    1.6423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7707    2.5084    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 
  8  3  1  0  0  0  0 
  1  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10  4  1  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  1  0  0  0  0 
  5 18  1  1  0  0  0 
  2 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
  1 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  22 
M  SMT   2  OCH3 
M  SVB   2 22   -1.2708    1.6423 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  19  20 
M  SBL   1  1  20 
M  SMT   1  OCH3 
M  SVB   1 20   -0.0792    1.9177 
S  SKP  8 
ID	FLNC49NS0001 
KNApSAcK_ID	C00010262 
NAME	(R)-2,5-Dihydroxy-3,4-dimethoxydalbergiquinol;(R)-3,4Dimethoxydalbergionequinol 
CAS_RN	1857-06-3 
FORMULA	C17H18O4 
EXACTMASS	286.120509064 
AVERAGEMASS	286.32241999999997 
SMILES	COc(c(O)2)c(OC)c(O)c(c2)[C@]([H])(C=C)c(c1)cccc1 
M  END