Mol:FL2FAANI0001

From Metabolomics.JP
Jump to: navigation, search

FL2FAANI0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 33  0  0  0  0  0  0  0  0999 V2000 
   -2.5417   -0.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5417   -1.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0413   -1.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5408   -1.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5408   -0.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0413   -0.4666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0404   -1.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5399   -1.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5399   -0.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0404   -0.4666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0398   -0.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4746   -0.7638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9889   -0.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9889    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4746    0.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0398    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5399   -0.0749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0418   -0.4668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5021    0.4234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0413   -2.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0404   -2.0550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5021   -0.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4746    1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9878    1.3130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9878    1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4998    2.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4758    2.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0154   -0.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5286   -0.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0418   -0.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5286   -1.3558    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 
  4  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  5  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 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 11  1  0  0  0  0 
  9 17  1  1  0  0  0 
  1 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
  7 21  2  0  0  0  0 
 13 22  1  0  0  0  0 
 15 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  2  0  0  0  0 
 25 26  1  0  0  0  0 
 25 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 28 29  2  0  0  0  0 
 29 30  1  0  0  0  0 
 29 31  1  0  0  0  0 
S  SKP  8 
ID	FL2FAANI0001 
KNApSAcK_ID	C00000936 
NAME	Abyssinone V 
CAS_RN	77263-11-7 
FORMULA	C25H28O5 
EXACTMASS	408.193674006 
AVERAGEMASS	408.48682 
SMILES	C(=O)(C2)c(c(OC(c(c3)cc(CC=C(C)C)c(O)c3CC=C(C)C)([H])2)1)c(O)cc(c1)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox