Mol:FLIB1LNS0007

<pre>

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

</pre>