Mol:FL2FABNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 24  0  0  0  0  0  0  0  0999 V2000 
   -2.1291    0.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1291   -0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6286   -0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1282   -0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1282    0.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6286    0.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6277   -0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1273   -0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1273    0.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6277    0.4213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3728    0.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8872    0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4015    0.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4015    1.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8872    1.3120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3728    1.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1273    0.8130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6292    0.4211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6286   -1.3120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6277   -1.1671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9148    1.3113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6292    0.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  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 
  9 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 
  9 17  1  1  0  0  0 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
  7 20  2  0  0  0  0 
 14 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  SBV   1 23   -6.7371    4.3886 
S  SKP  8 
ID	FL2FABNS0001 
KNApSAcK_ID	C00000973 
NAME	Isosakuranetin 
CAS_RN	480-43-3 
FORMULA	C16H14O5 
EXACTMASS	286.084123558 
AVERAGEMASS	286.27936 
SMILES	COc(c3)ccc(c3)C([H])(C1)Oc(c2)c(c(O)cc(O)2)C(=O)1 
M  END