Mol:FLNADCNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
   -1.2425    1.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6862    1.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1301    1.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1301    0.8144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4466    0.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0234    0.8144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0234    1.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4466    1.8133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2423    0.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6862    0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4466   -0.1841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1063   -0.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1063   -1.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4466   -1.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9996   -1.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9996   -0.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5997    1.8131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4466   -2.0990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5521   -1.4608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5997    2.0990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0996    2.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1184    0.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4039   -0.0583    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  2  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  3  1  0  0  0  0 
  1  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10  4  1  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 
  7 17  2  0  0  0  0 
 14 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
  1 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 10 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  24 
M  SMT   2  OCH3 
M  SVB   2 24   -1.1184    0.3542 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  20  21 
M  SBL   1  1  22 
M  SMT   1  OCH3 
M  SVB   1 22   -1.5997     2.099 
S  SKP  8 
ID	FLNADCNS0001 
KNApSAcK_ID	C00010204 
NAME	3',4'-Dihydroxy-5,7-dimethoxy-4-phenylcoumarin 
CAS_RN	88126-47-0 
FORMULA	C17H14O6 
EXACTMASS	314.07903818 
AVERAGEMASS	314.28945999999996 
SMILES	COc(c3)cc(O2)c(c(OC)3)C(=CC(=O)2)c(c1)cc(O)c(O)c1 
M  END