Mol:FLND49NS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 23  0  0  0  0  0  0  0  0999 V2000 
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   -0.3772    1.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1789    1.0236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1789    0.3577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7556    0.0247    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    1.3323    0.3577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3323    1.0236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0423    1.5281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9335    0.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3772    0.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7556   -0.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2027   -0.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2027   -1.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7556   -1.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3085   -1.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3085   -0.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3888    0.1187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3888   -0.3409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2908    1.6423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7908    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0992    1.9177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3373    2.8174    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  1  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 
  8  3  2  0  0  0  0 
  1  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  4  2  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  2  0  0  0  0 
  5 18  1  1  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 
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   -0.0992    1.9177 
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   -1.2908    1.6423 
S  SKP  8 
ID	FLND49NS0001 
KNApSAcK_ID	C00010255 
NAME	(R)-3,4-Dimethoxydalbergione 
CAS_RN	3755-64-4 
FORMULA	C17H16O4 
EXACTMASS	284.104859 
AVERAGEMASS	284.30654 
SMILES	COc(c(=O)2)c(OC)c(=O)c(c2)[C@]([H])(C=C)c(c1)cccc1 
M  END