Mol:FLIBALNS0006

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
   -2.0045    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0045    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4482    0.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8919    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8919    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4482    1.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3356    0.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2207    0.4859    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.2207    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3356    1.4494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7768    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7768   -0.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3716   -0.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9664   -0.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9664    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3716    0.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4470   -0.4676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5606    1.4493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5606   -0.8650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4482   -0.4774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0623   -0.4525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9330   -0.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3716   -1.8654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3716   -2.8654    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 
  3 20  1  0  0  0  0 
 12 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 13 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  25 
M  SMT   2  OCH3 
M  SVB   2 25    0.9542   -1.0369 
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  SVB   1 23    0.0623   -0.4525 
S  SKP  8 
ID	FLIBALNS0006 
KNApSAcK_ID	C00009555 
NAME	Parvisoflavanone 
CAS_RN	49776-79-6 
FORMULA	C17H16O7 
EXACTMASS	332.089602866 
AVERAGEMASS	332.30474 
SMILES	COc(c(O)3)c(OC)c(cc3)C(C1)C(=O)c(c(O)2)c(cc(O)c2)O1 
M  END