Mol:FLNC29NS0004

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 23  0  0  0  0  0  0  0  0999 V2000
   -0.8446    1.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2883    1.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2678    1.1614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2678    0.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8446    0.1624    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4213    0.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2874   -0.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8446    0.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2883    0.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8446   -0.5031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2916   -0.8223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2916   -1.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8446   -1.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3975   -1.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3975   -0.8223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4378   -0.1801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8446    1.4943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7107    1.9942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2018    1.7800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7017    2.6461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5590    0.6689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5377    0.8740    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
  5 16  1  1  0  0  0
  3 17  1  0  0  0  0
 17 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
  8 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  21  22
M  SBL   3  1  22
M  SMT   3  OCH3
M  SVB   3 22    -1.559    0.6689
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  19  20
M  SBL   2  1  20
M  SMT   2  OCH3
M  SVB   2 20   -1.2018      1.78
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  17  18
M  SBL   1  1  18
M  SMT   1  OCH3
M  SVB   1 18    0.8446    1.4943
S  SKP  8
ID	FLNC29NS0004
KNApSAcK_ID	C00010265
NAME	(R)-2,4,5-Trimethoxydalbergiquinol
CAS_RN	14753-80-1
FORMULA	C18H20O3
EXACTMASS	284.141244506
AVERAGEMASS	284.3496
SMILES	c(c(OC)1)(OC)cc(c([C@](c(c2)cccc2)([H])C=C)c1)OC
M  END

</pre>