Mol:FL3F19NI0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -1.6797   -0.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6797   -1.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1234   -1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5671   -1.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5671   -0.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1234   -0.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0108   -1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5455   -1.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5455   -0.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0108   -0.2309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0108   -2.0165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1016   -0.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6686   -0.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2356   -0.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2356    0.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6686    0.7510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1016    0.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1234    0.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6795    0.7322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6795    1.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2356    1.6954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1234    1.6954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6795    2.0165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0369    0.0666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5369    0.9326    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  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 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 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  6 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 20 22  1  0  0  0  0 
 20 23  1  0  0  0  0 
  1 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  24  25 
M  SBL   1  1  26 
M  SMT   1  OCH3 
M  SVB   1 26   -2.0369    0.0666 
S  SKP  8 
ID	FL3F19NI0001 
KNApSAcK_ID	C00004010 
NAME	Lanceolatin A(flavonoid) 
CAS_RN	41689-78-5 
FORMULA	C21H20O4 
EXACTMASS	336.136159128 
AVERAGEMASS	336.38109999999995 
SMILES	C(C)(C)(O)C=Cc(c12)c(ccc1C(=O)C=C(c(c3)cccc3)O2)OC 
M  END