Mol:FLIAAANP0016

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
   -1.4473    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4473   -0.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8910   -0.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3347   -0.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3347    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8910    0.7670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2216   -0.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7780   -0.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7780    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2216    0.7670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3340   -0.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3340   -1.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9288   -1.5478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5236   -1.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5236   -0.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9288   -0.1742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2216   -1.1631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8910   -1.1598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0034   -0.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0034   -1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5583   -1.4787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5583   -2.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1132   -1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8910    1.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4473    1.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0036    1.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0036    0.7670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0036    2.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5501    1.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1132   -1.5448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4484   -1.4787    0.0000 O   0  0  0  0  0  0  0  0  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  1  0  0  0  0 
 12 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 11  2  0  0  0  0 
  1  2  1  0  0  0  0 
  7 17  2  0  0  0  0 
  3 18  1  0  0  0  0 
  2 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 21 23  2  0  0  0  0 
  6 24  1  0  0  0  0 
 24 25  2  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27  1  1  0  0  0  0 
 26 28  1  0  0  0  0 
 26 29  1  0  0  0  0 
 30 14  1  0  0  0  0 
 20 31  1  0  0  0  0 
S  SKP  8 
ID	FLIAAANP0016 
KNApSAcK_ID	C00009948 
NAME	Euchrenone b9 
CAS_RN	130170-05-7 
FORMULA	C25H24O6 
EXACTMASS	420.1572885 
AVERAGEMASS	420.45446 
SMILES	c(c23)(c(O)c(CC(C(C)=C)O)c(O4)c3C=CC4(C)C)C(C(=CO2)c(c1)ccc(c1)O)=O 
M  END