Mol:FL2FALNP0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
   -2.5635   -0.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5635   -0.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0072   -1.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4509   -0.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4509   -0.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0072    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8946   -1.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3383   -0.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3383   -0.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8946    0.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2178    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7847   -0.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3517    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3517    0.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7847    0.9821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2178    0.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8946   -1.8283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0072   -1.9266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1196    0.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0072    0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5633    0.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5633    1.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1194    1.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0072    1.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9187   -0.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4857    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4857    0.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9187    0.9821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1196    0.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8024    1.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3490    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  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  9 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 
  1 19  1  0  0  0  0 
  6 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
 13 25  1  0  0  0  0 
 25 26  2  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
 28 14  1  0  0  0  0 
 27 29  1  0  0  0  0 
 27 30  1  0  0  0  0 
 16 31  1  0  0  0  0 
S  SKP  8 
ID	FL2FALNP0003 
KNApSAcK_ID	C00008331 
NAME	Euchrestaflavanone C 
CAS_RN	91878-51-2 
FORMULA	C25H26O6 
EXACTMASS	422.172938564 
AVERAGEMASS	422.47033999999996 
SMILES	c(c4)(c(c3c(c(O)4)CC=C(C)C)C(=O)CC(O3)c(c2)c(cc(c12)OC(C)(C)C=C1)O)O 
M  END