Mol:FLIAE8NS0006

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 25  0  0  0  0  0  0  0  0999 V2000 
   -1.4912    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4912    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9349   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3786    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3786    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9349    1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1777   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7340    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7340    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1777    1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2901   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2901   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8849   -1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4797   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4797   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8849    0.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1021    1.0347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4797    0.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1021   -0.0046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9349   -0.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1777   -0.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8849    0.9023    0.0000 O   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 
  1 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19  2  1  0  0  0  0 
  3 20  1  0  0  0  0 
  7 21  2  0  0  0  0 
 16 22  1  0  0  0  0 
S  SKP  8 
ID	FLIAE8NS0006 
KNApSAcK_ID	C00009856 
NAME	Irisone B;5,2'-Dihydroxy-6,7-methylenedioxyisoflavone 
CAS_RN	97359-75-6 
FORMULA	C16H10O6 
EXACTMASS	298.047738052 
AVERAGEMASS	298.24699999999996 
SMILES	Oc(c4)c(ccc4)C(=C3)C(=O)c(c(O3)1)c(O)c(O2)c(OC2)c1 
M  END