Mol:FLIABCNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 24  0  0  0  0  0  0  0  0999 V2000 
   -2.1039    1.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1039    0.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5476    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9913    0.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9913    1.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5476    1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4350    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1213    0.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1213    1.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4350    1.3517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6774    0.0671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6774   -0.6197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2722   -0.9631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8670   -0.6197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8670    0.0671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2722    0.4105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4350   -0.5752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5476   -0.5752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4612   -0.9628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2722   -1.6492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4612    1.6492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9613    2.5152    0.0000 C   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  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 
  3 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
 13 20  1  0  0  0  0 
  1 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  23 
M  SMT   1  OCH3 
M  SVB   1 23   -2.4612    1.6492 
S  SKP  8 
ID	FLIABCNS0001 
KNApSAcK_ID	C00009459 
NAME	Santal;5,3',4'-Trihydroxy-7-methoxyisoflavone 
CAS_RN	529-60-2 
FORMULA	C16H12O6 
EXACTMASS	300.063388116 
AVERAGEMASS	300.26288 
SMILES	COc(c3)cc(O2)c(c(O)3)C(=O)C(=C2)c(c1)cc(O)c(O)c1 
M  END