Mol:FLIAAANI0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -1.1965    1.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1965    0.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6960    0.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1956    0.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1956    1.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6960    1.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3049    0.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8053    0.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8053    1.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3049    1.2997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3054    0.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3054   -0.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7695   -0.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2337   -0.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2337    0.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7695    0.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6376    1.2654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6969   -0.6593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3049   -0.2482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6966    0.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6966   -0.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1968   -0.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6969   -0.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1968   -1.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6960   -0.4336    0.0000 O   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  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 17  1  0  0  0  0 
 14 18  1  0  0  0  0 
  7 19  2  0  0  0  0 
  2 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
  3 25  1  0  0  0  0 
S  SKP  8 
ID	FLIAAANI0001 
KNApSAcK_ID	C00002586 
NAME	Wighteone;Erythrinin B;5,7,4'-Trihydroxy-6-prenylisoflavone 
CAS_RN	51225-30-0 
FORMULA	C20H18O5 
EXACTMASS	338.115423686 
AVERAGEMASS	338.35392 
SMILES	C(c(c(O)1)c(O)cc(O3)c1C(C(=C3)c(c2)ccc(O)c2)=O)C=C(C)C 
M  END