Mol:FLIAEANI0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
   -2.7195    1.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7195    1.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1632    0.7820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6069    1.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6069    1.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1632    2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0506    0.7820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4943    1.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4943    1.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0506    2.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0618    0.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0618    0.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6566   -0.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2513    0.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2513    0.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6566    1.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0506    0.1398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1632    0.1398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2758    2.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8455   -0.2478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4381   -0.5899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4381   -1.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9363   -1.4919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9363   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4340   -1.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4340    1.1945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7195    0.7820    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 
  3 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 14 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 24  1  0  0  0  0 
 23 25  1  0  0  0  0 
  2 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  26  27 
M  SBL   1  1  28 
M  SMT   1 ^OCH3 
M  SBV   1 28   -7.2043    6.4362 
S  SKP  8 
ID	FLIAEANI0001 
KNApSAcK_ID	C00009826 
NAME	Isoaurmillone;5,7-Dihydroxy-6-methoxy-4'-prenyloxyisoflavone 
CAS_RN	87457-87-2 
FORMULA	C21H20O6 
EXACTMASS	368.125988372 
AVERAGEMASS	368.37989999999996 
SMILES	COc(c(O)1)c(O)cc(O3)c1C(C(=C3)c(c2)ccc(OCC=C(C)C)c2)=O 
M  END