Mol:FLIAALNP0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 29  0  0  0  0  0  0  0  0999 V2000 
   -1.3971    0.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3971    0.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8408   -0.2164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2845    0.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2845    0.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8408    1.0683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2718   -0.2164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8281    0.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8281    0.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2718    1.0683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3842   -0.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3842   -0.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9790   -1.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5737   -0.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5737   -0.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9790    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2718   -0.8585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8408   -0.8585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1679   -1.2461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7900   -1.2461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9534    1.0683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5097    0.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5097    0.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9534   -0.2164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0091    1.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1679    0.5708    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 
  8 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  7 17  2  0  0  0  0 
  3 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
 12 20  1  0  0  0  0 
  1 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 24  2  1  0  0  0  0 
 22 25  1  0  0  0  0 
 22 26  1  0  0  0  0 
S  SKP  8 
ID	FLIAALNP0003 
KNApSAcK_ID	C00009498 
NAME	Parvisoflavone B 
CAS_RN	50277-02-6 
FORMULA	C20H16O6 
EXACTMASS	352.094688244 
AVERAGEMASS	352.33744 
SMILES	c(C3=O)(c2O)c(OC=C(c(c4)c(O)cc(O)c4)3)cc(c12)OC(C=C1)(C)C 
M  END