Mol:FLIFWYNM0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 27  0  0  0  0  0  0  0  0999 V2000 
   -1.7073    0.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7073   -0.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1510   -0.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5947   -0.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5947    0.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1510    0.8538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0384   -0.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5179   -0.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5179    0.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0384    0.8538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0740   -0.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0740   -1.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6688   -1.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2636   -1.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2636   -0.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6688   -0.0874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0740    0.8537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0384   -1.0730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6752    0.5326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2636    0.8538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1510   -1.0730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2634   -0.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4114    1.4610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1259    1.0485    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 
  9 17  1  0  0  0  0 
  7 18  2  0  0  0  0 
 16 19  1  0  0  0  0 
 19 17  1  0  0  0  0 
 20  1  1  0  0  0  0 
  3 21  1  0  0  0  0 
  2 22  1  0  0  0  0 
 17 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  23  24 
M  SBL   1  1  26 
M  SMT   1 OCH3 
M  SBV   1 26   -5.3464    4.5843 
S  SKP  8 
ID	FLIFWYNM0002 
KNApSAcK_ID	C00009990 
NAME	Boeravinone A;6a,12a-Dehydro-9,11-dihydroxy-6-methoxy-10-methylrotenone 
CAS_RN	114567-33-8 
FORMULA	C18H14O6 
EXACTMASS	326.07903818 
AVERAGEMASS	326.30016 
SMILES	c(c1O)(C)c(O)cc(O2)c1C(C(c34)=C2C(OC)Oc3cccc4)=O 
M  END