Mol:FLIB1LNS0007

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 26  0  0  0  0  0  0  0  0999 V2000 
   -2.2357    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2357    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6794   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1231    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1231    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6794    1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5668   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0105    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0105    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5668    1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5456   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5456   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1404   -1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7352   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7352   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1404    0.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5668   -0.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7920    1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3883   -1.0262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7920   -0.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3883    0.0850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1689   -0.7446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5456   -1.1571    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  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 
  7 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 15  1  0  0  0  0 
 12 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  25 
M  SMT   1 ^OCH3 
M  SBV   1 25   -6.6792    4.3707 
S  SKP  8 
ID	FLIB1LNS0007 
KNApSAcK_ID	C00009541 
NAME	Onogenin;7-Hydroxy-2'-methoxy-4',5'-methylenedioxyisoflavanone 
CAS_RN	58116-57-7 
FORMULA	C17H14O6 
EXACTMASS	314.07903818 
AVERAGEMASS	314.28945999999996 
SMILES	COc(c3)c(cc(O4)c(OC4)3)C(C1)C(=O)c(c2)c(cc(O)c2)O1 
M  END