Mol:FLNC4ANS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 25  0  0  0  0  0  0  0  0999 V2000 
   -0.9742    1.3425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4179    1.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1382    1.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1382    0.6767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7150    0.3437    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    1.2917    0.6767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1578    0.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9742    0.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4179    0.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7150   -0.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1620   -0.6410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1620   -1.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7150   -1.5987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2679   -1.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2679   -0.6410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4294    0.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3082    0.0012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7150   -2.2367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3314    1.9613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8313    2.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1398    2.2367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2968    3.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0016    1.8471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8650    2.3517    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 
 13 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
  2 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  3 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  23  24 
M  SBL   3  1  24 
M  SMT   3  OCH3 
M  SVB   3 24     0.715    1.6756 
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   -0.1398    2.2367 
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   -1.3314    1.9613 
S  SKP  8 
ID	FLNC4ANS0001 
KNApSAcK_ID	C00010263 
NAME	Kuhlmanniquinol;(R)-5,4'-Dihydroxy-2,3,4-trimethoxydalbergiquinol 
CAS_RN	21044-87-1 
FORMULA	C18H20O5 
EXACTMASS	316.13107375 
AVERAGEMASS	316.3484 
SMILES	c(c2O)c(c(c(c2OC)OC)OC)[C@](c(c1)ccc(O)c1)([H])C=C 
M  END