Mol:FLNC29NS0003

<pre>

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

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