Mol:FLIBHXNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
   -2.1808    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1808    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6245    0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0682    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0682    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6245    1.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5119    0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0444    0.3315    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.0444    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5119    1.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6005    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6005   -0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1953   -1.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7901   -0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7901    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1953    0.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5119   -0.6350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6245   -0.6318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7369    1.2950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6506    0.6815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3843    0.3535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6561   -1.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5222   -1.6763    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  1  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 
  8 20  1  0  0  0  0 
 15 21  1  0  0  0  0 
 14 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  22  23 
M  SBL   1  1  24 
M  SMT   1  OCH3 
M  SVB   1 24    2.0224   -0.8826 
S  SKP  8 
ID	FLIBHXNS0001 
KNApSAcK_ID	C00009955 
NAME	Bolusanthin;3,5,7,3'-Tetrahydroxy-4'-methoxyisoflavone 
CAS_RN	99365-26-1 
FORMULA	C16H14O7 
EXACTMASS	318.073952802 
AVERAGEMASS	318.27816 
SMILES	COc(c3)c(O)cc(c3)C(O)(C1)C(=O)c(c(O)2)c(cc(O)c2)O1 
M  END