Mol:FLIDHXNS0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 26  0  0  0  0  0  0  0  0999 V2000 
   -1.7564    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7564    0.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2560    0.1932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7555    0.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7555    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2560    1.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2551    0.1932    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    0.2454    0.4821    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    0.2454    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2551    1.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1349   -0.3721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4398   -0.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6748    0.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7795   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3542   -0.8396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5892   -0.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2495    0.1559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7307    0.7623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6984   -0.0628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5753   -1.2072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3971   -1.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1136    1.6787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6136    2.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  7 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13  8  1  0  0  0  0 
 12 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 13  1  0  0  0  0 
  8 18  1  1  0  0  0 
  7 19  1  1  0  0  0 
 15 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
  1 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  22  23 
M  SBL   2  1  25 
M  SMT   2  OCH3 
M  SVB   2 25   -2.1136    1.6787 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  20  21 
M  SBL   1  1  23 
M  SMT   1  OCH3 
M  SVB   1 23    1.3992   -1.2662 
S  SKP  8 
ID	FLIDHXNS0005 
KNApSAcK_ID	C00002582 
NAME	(-)-Variabilin;Homopisatin;6a-Hydroxy-3,9-dimethoxypterocarpan 
CAS_RN	3187-52-8 
FORMULA	C17H16O5 
EXACTMASS	300.099773622 
AVERAGEMASS	300.30593999999996 
SMILES	COc(c4)cc(O3)c(c4)[C@@]([H])(O1)[C@](O)(C3)c(c2)c(cc(OC)c2)1 
M  END