Mol:FLIB1LNS0005

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 25  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 
   -0.0486   -1.1571    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 
  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 
 12 19  1  0  0  0  0 
 14 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 15  1  0  0  0  0 
S  SKP  8 
ID	FLIB1LNS0005 
KNApSAcK_ID	C00009539 
NAME	(+)-Sophorol;7,2'-Dihydroxy-4',5'-methylenedioxyisoflavanone 
CAS_RN	524-08-3 
FORMULA	C16H12O6 
EXACTMASS	300.063388116 
AVERAGEMASS	300.26288 
SMILES	Oc(c4)cc(O3)c(c4)C(=O)C(C3)c(c1)c(O)cc(O2)c(OC2)1 
M  END