Mol:FL5FALNI0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 34  0  0  0  0  0  0  0  0999 V2000 
   -1.1289   -0.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1289   -0.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5726   -1.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0163   -0.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0163   -0.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5726    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5400   -1.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0963   -0.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0963   -0.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5400    0.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5400   -1.7853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6524    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2193   -0.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7863    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7863    0.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2193    0.9821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6524    0.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6761   -1.2697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5726   -1.9266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3531    0.9821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6850    0.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5726    0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1287    0.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1287    1.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6848    0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2409    0.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7970    0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3531    0.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7970    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6848    1.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5726    1.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0855    0.9821    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  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 
  8 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
  1 21  1  0  0  0  0 
  6 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  1  0  0  0 
 23 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  2  0  0  0  0 
 27 28  1  0  0  0  0 
 27 29  1  0  0  0  0 
 24 30  1  0  0  0  0 
 24 31  2  0  0  0  0 
 17 32  1  0  0  0  0 
S  SKP  8 
ID	FL5FALNI0001 
KNApSAcK_ID	C00005021 
NAME	Kushenol C 
CAS_RN	99119-73-0 
FORMULA	C25H26O7 
EXACTMASS	438.167853186 
AVERAGEMASS	438.46974 
SMILES	c(c(O)1)c(O)c(C3=O)c(OC(=C(O)3)c(c2O)ccc(O)c2)c(CC(C(C)=C)CC=C(C)C)1 
M  END