Mol:FLIAALNI0013

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
   -2.0045   -0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0045   -0.7693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4482   -1.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8919   -0.7693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8919   -0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4482    0.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3356   -1.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2207   -0.7693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2207   -0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3356    0.1942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7768   -1.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7768   -1.7772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3716   -2.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9664   -1.7772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9664   -1.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3716   -0.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3356   -1.7326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5606    0.1941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5606   -2.1203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4482    0.8363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0043    1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0043    1.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5604    2.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4482    2.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3716   -0.0609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8846   -1.2510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1701   -1.6635    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 
 14 19  1  0  0  0  0 
  6 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 
 16 25  1  0  0  0  0 
  3 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   -5.4274    4.3325 
S  SKP  8 
ID	FLIAALNI0013 
KNApSAcK_ID	C00009899 
NAME	Barpisoflavone B;7,2',4'-Trihydroxy-5-methoxy-8-prenylisoflavone 
CAS_RN	104703-88-0 
FORMULA	C21H20O6 
EXACTMASS	368.125988372 
AVERAGEMASS	368.37989999999996 
SMILES	COc(c21)cc(c(CC=C(C)C)c1OC=C(c(c3)c(O)cc(O)c3)C2=O)O 
M  END