Mol:FLNC28NS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 24  0  0  0  0  0  0  0  0999 V2000 
   -1.0401    1.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4838    1.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0723    1.1614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0723    0.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6491    0.1624    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    1.2258    0.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0919   -0.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0401    0.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4838    0.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6491   -0.5031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0961   -0.8223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0961   -1.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6491   -1.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2020   -1.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2020   -0.8223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2823   -0.2031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7545   -0.5033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6491    1.4943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5152    1.9942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3973    1.7800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8972    2.6461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7545    0.6689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7332    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 
 15 17  1  0  0  0  0 
  3 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
  1 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
  8 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  22  23 
M  SBL   3  1  23 
M  SMT   3  OCH3 
M  SVB   3 23   -1.7545    0.6689 
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   -1.3973      1.78 
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    0.6491    1.4943 
S  SKP  8 
ID	FLNC28NS0002 
KNApSAcK_ID	C00010259 
NAME	5-O-Methyllatifolin;(R)-2'-Hydroxy-2,4,5-trimethoxydalbergiquinol 
CAS_RN	18525-14-9 
FORMULA	C18H20O4 
EXACTMASS	300.136159128 
AVERAGEMASS	300.349 
SMILES	c(c2OC)(OC)cc(c(c2)[C@](c(c1)c(O)ccc1)([H])C=C)OC 
M  END