Mol:FLIA1GNP0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 32  0  0  0  0  0  0  0  0999 V2000 
   -1.9587    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9587   -0.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4024   -0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8461   -0.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8461    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4024    0.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2898   -0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2665   -0.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2665    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2898    0.7937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8226   -0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8226   -1.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4174   -1.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0122   -1.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0122   -0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4174   -0.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2898   -1.1331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5148    0.7936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4024    1.4359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9585    1.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5148    1.4361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0691    1.1161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5148    2.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6654   -1.3899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0691   -0.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6654   -0.2786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0001   -1.6926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7145   -2.1051    0.0000 C   0  0  0  0  0  0  0  0  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  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  8 11  1  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 16  1  0  0  0  0 
 16 11  2  0  0  0  0 
  1  2  1  0  0  0  0 
  7 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
  6 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20 21  1  0  0  0  0 
 21 18  1  0  0  0  0 
 21 22  1  0  0  0  0 
 21 23  1  0  0  0  0 
 14 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 15  1  0  0  0  0 
 13 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  27  28 
M  SBL   1  1  31 
M  SMT   1 OCH3 
M  SBV   1 31   -5.0944    4.0341 
S  SKP  8 
ID	FLIA1GNP0001 
KNApSAcK_ID	C00009886 
NAME	Isojamaicin;3'-Methoxy-4',5'-methylenedioxy-6'',6''-dimethylpyrano[2'',3'':7,8]isoflavone 
CAS_RN	124596-68-5 
FORMULA	C22H18O6 
EXACTMASS	378.110338308 
AVERAGEMASS	378.37472 
SMILES	O(C5)c(c1O5)c(cc(C(C4=O)=COc(c34)c(C=2)c(cc3)OC(C2)(C)C)c1)OC 
M  END