Mol:FL2FABNI0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 33  0  0  0  0  0  0  0  0999 V2000 
   -2.3202   -0.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3202   -1.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7639   -1.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2076   -1.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2076   -0.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7639   -0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6513   -1.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0950   -1.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0950   -0.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6513   -0.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4611   -0.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0281   -0.8357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5950   -0.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5950    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0281    0.4737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4611    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6513   -2.3368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7639   -2.4351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8763   -0.5084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7639    0.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3200    0.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3200    1.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8761    1.4181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7639    1.4181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0281    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5949    1.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5949    2.1085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0292    2.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1605    2.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1618    0.4736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8763    0.0611    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 
  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 
 15 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 
 14 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  32 
M  SMT   1 OCH3 
M  SBV   1 32   -8.4524    3.1691 
S  SKP  8 
ID	FL2FABNI0001 
KNApSAcK_ID	C00008267 
NAME	5,7-Dihydroxy-4'-methoxy-8,3'-di-C-prenylflavanone;Nimbaflavone 
CAS_RN	93772-44-2 
FORMULA	C26H30O5 
EXACTMASS	422.20932407 
AVERAGEMASS	422.5134 
SMILES	c(c(O)3)(C(=O)1)c(c(CC=C(C)C)c(O)c3)OC(c(c2)cc(c(OC)c2)CC=C(C)C)C1 
M  END