Mol:FL1CHYNP0008

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 30  0  0  0  0  0  0  0  0999 V2000 
    0.3036    0.4768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3036   -0.1656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8599   -0.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4162   -0.1656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4162    0.4768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8599    0.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9534   -0.1656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3971   -0.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5095   -0.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0704   -0.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5095   -1.1274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0704    0.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6231    0.8041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1757    0.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1757   -0.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6231   -0.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9723   -0.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9723    0.7978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5284   -0.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5284    0.4768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9040    1.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1757    0.4768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8233   -0.6532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1088   -1.0657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4234   -0.6473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1379   -1.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0537    1.0955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5538    1.9615    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 
  4 17  1  0  0  0  0 
  5 18  1  0  0  0  0 
 17 19  2  0  0  0  0 
 19 20  1  0  0  0  0 
 20 18  1  0  0  0  0 
 20 21  1  0  0  0  0 
 20 22  1  0  0  0  0 
  8 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
  3 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
  1 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  27  28 
M  SBL   3  1  29 
M  SMT   3  OCH3 
M  SVB   3 29   -0.0537    1.0955 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  25  26 
M  SBL   2  1  27 
M  SMT   2  OCH3 
M  SVB   2 27    0.4234   -0.6473 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  23  24 
M  SBL   1  1  25 
M  SMT   1  OCH3 
M  SVB   1 25   -0.8233   -0.6532 
S  SKP  8 
ID	FL1CHYNP0008 
KNApSAcK_ID	C00007090 
NAME	Praecanson A 
CAS_RN	74517-76-3 
FORMULA	C23H24O5 
EXACTMASS	380.162373878 
AVERAGEMASS	380.43366000000003 
SMILES	c(c3OC)(c(OC)cc(c32)OC(C=C2)(C)C)C(OC)=CC(c(c1)cccc1)=O 
M  END