Mol:FL1C1ANI0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 27  0  0  0  0  0  0  0  0999 V2000 
    1.7328    0.9574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7328    0.3150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2891   -0.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8455    0.3150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8455    0.9574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2891    1.2786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4759    0.3150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0322   -0.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0802   -0.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6412    0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0802   -0.6468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6412    0.9657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1938    1.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7464    0.9657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7464    0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1938    0.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4018    1.2786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2991    0.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1938   -0.6296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2991   -0.6295    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -1.7478   -0.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8504   -0.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4018   -0.6295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8504   -1.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1037    1.5844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6038    2.4504    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 
  7  8  2  0  0  0  0 
  7  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
  2  8  1  0  0  0  0 
 10 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 10  1  0  0  0  0 
 17  5  1  0  0  0  0 
 15 18  1  0  0  0  0 
 19 16  1  0  0  0  0 
 18 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 20 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 22 24  1  0  0  0  0 
 14 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  25  26 
M  SBL   1  1  26 
M  SMT   1  OCH3 
M  SVB   1 26   -2.1037    1.5844 
S  SKP  8 
ID	FL1C1ANI0005 
KNApSAcK_ID	C00007065 
NAME	Xanthoangelol D 
CAS_RN	132998-83-5 
FORMULA	C21H22O5 
EXACTMASS	354.146723814 
AVERAGEMASS	354.39638 
SMILES	CC(=C)C(O)Cc(c1O)c(ccc1C(=O)C=Cc(c2)ccc(O)c2)OC 
M  END