Mol:FLIAAANI0012

From Metabolomics.JP
Jump to: navigation, search

FLIAAANI0012.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 35 37  0  0  0  0  0  0  0  0999 V2000 
   -2.3735    0.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3735   -0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8172   -0.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2609   -0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2609    0.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8172    0.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7046   -0.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1483   -0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1483    0.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7046    0.4802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4078   -0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4078   -1.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0026   -1.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5974   -1.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5974   -0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0026   -0.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7046   -1.4499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8172   -1.4466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9296   -0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9296   -1.4451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4845   -1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4845   -2.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0394   -1.4451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8172    1.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3735    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1869   -1.8316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3735    2.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9284    2.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8186    2.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1916   -0.4613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7858   -0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4257   -0.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4257    0.2415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0394   -0.8215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8035    0.4073    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  2  0  0  0  0 
 21 22  1  0  0  0  0 
 21 23  1  0  0  0  0 
  6 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 26 14  1  0  0  0  0 
 25 27  2  0  0  0  0 
 27 28  1  0  0  0  0 
 27 29  1  0  0  0  0 
 15 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
 32 33  1  0  0  0  0 
 32 34  1  0  0  0  0 
 31 32  2  0  0  0  0 
  1 35  1  0  0  0  0 
S  SKP  8 
ID	FLIAAANI0012 
KNApSAcK_ID	C00009951 
NAME	Euchrenone b1;5,7,4'-Trihydroxy-6,8,3'-triprenylisoflavone 
CAS_RN	119061-09-5 
FORMULA	C30H34O5 
EXACTMASS	474.240624198 
AVERAGEMASS	474.58796000000007 
SMILES	Oc(c12)c(CC=C(C)C)c(c(CC=C(C)C)c1OC=C(c(c3)ccc(c(CC=C(C)C)3)O)C2=O)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox