Mol:FL2FALNI0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 34  0  0  0  0  0  0  0  0999 V2000 
   -1.4873   -0.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4873   -0.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9310   -1.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3747   -0.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3747   -0.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9310    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1816   -1.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7379   -0.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7379   -0.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1816    0.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2940    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8610   -0.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4280    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4280    0.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8610    0.9821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2940    0.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1816   -1.8283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9310   -1.9266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0436    0.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9310    0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4871    0.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4871    1.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0432    1.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9310    1.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7272    0.9821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0434   -1.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5995   -0.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1544   -1.2837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7093   -0.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1544   -1.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9948    0.9821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7093    0.5696    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 
  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 
 19  1  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 
 16 25  1  0  0  0  0 
  2 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  2  0  0  0  0 
 28 29  1  0  0  0  0 
 28 30  1  0  0  0  0 
 14 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  33 
M  SMT   1 OCH3 
M  SBV   1 33   -7.5370    5.3276 
S  SKP  8 
ID	FL2FALNI0005 
KNApSAcK_ID	C00008358 
NAME	Flemiflavanone A 
CAS_RN	71306-29-1 
FORMULA	C26H30O6 
EXACTMASS	438.204238692 
AVERAGEMASS	438.51279999999997 
SMILES	c(OC)(c3)ccc(c3O)C(C2)Oc(c(C2=O)1)c(CC=C(C)C)c(c(CC=C(C)C)c(O)1)O 
M  END