Mol:FLNC29NS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.9053    1.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3490    1.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2071    1.1614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2071    0.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7838    0.1624    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3606    0.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3606    1.1614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7838    1.4943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9053    0.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3490    0.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7838   -0.5031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2309   -0.8223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2309   -1.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7838   -1.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3368   -1.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3368   -0.8223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3606    0.2564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    1.7800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7624    2.6461    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  0  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
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
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   -1.2625      1.78
S  SKP  8
ID	FLNC29NS0002
KNApSAcK_ID	C00010261
NAME	Obtusaquinol;(R,S)-2,5-Dihydroxy-4-methoxydalbergiquinol
CAS_RN	3527-07-9
FORMULA	C16H16O3
EXACTMASS	256.109944378
AVERAGEMASS	256.29643999999996
SMILES	COc(c2)c(O)cc(c(O)2)C(C=C)c(c1)cccc1
M  END

</pre>