Mol:FL2FABNI0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
   -2.2001   -0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6792   -1.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1583   -0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1583   -0.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6792    0.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2001   -0.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6374   -1.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1166   -0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1166   -0.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6374    0.0006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4038    0.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6374   -1.7262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9382   -0.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4725    0.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4725    0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9382    0.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4038    0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6792   -1.8032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7205    0.0003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6792    0.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1996    0.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1996    1.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7200    1.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6792    1.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6377    0.6489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0060    0.9253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7205    0.5128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  3  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  4  1  0  0  0  0 
  9 11  1  0  0  0  0 
  7 12  2  0  0  0  0 
 11 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 11  1  0  0  0  0 
  2 18  1  0  0  0  0 
  6 19  1  0  0  0  0 
  5 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 
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 21 25  1  0  0  0  0 
 15 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  26  27 
M  SBL   1  1  28 
M  SMT   1 OCH3 
M  SBV   1 28   -7.8764    4.5634 
S  SKP  8 
ID	FL2FABNI0005 
KNApSAcK_ID	C00008507 
NAME	5,7-Dihydroxy-4'-methoxy-8-C-(2-hydroxy-3-methyl-3-butenyl)flavanone 
CAS_RN	145631-55-6 
FORMULA	C21H22O6 
EXACTMASS	370.141638436 
AVERAGEMASS	370.39578 
SMILES	c(c(CC(O)=C(C)C)3)(c2c(cc(O)3)O)OC(CC(=O)2)c(c1)ccc(OC)c1 
M  END