Mol:FL4DAANC0002

From Metabolomics.JP
Jump to: navigation, search

FL4DAANC0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 32  0  0  0  0  0  0  0  0999 V2000 
   -0.8988   -0.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3779   -0.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1430   -0.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1430    0.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3779    0.4317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8988    0.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6639   -0.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1848   -0.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1848    0.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6639    0.4317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6639   -1.2952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3779   -1.3721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7689    0.4682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2908    0.1668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8127    0.4682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8127    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2908    1.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7689    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7208   -1.0066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3342    1.3719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4055    0.4235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4191   -0.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9395   -0.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9395    0.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4047    0.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8698    0.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8698   -0.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4047   -0.7391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3342    0.3347    0.0000 O   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 
  3  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  4  1  0  0  0  0 
  7 11  2  0  0  0  0 
  2 12  1  0  0  0  0 
  9 13  1  6  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 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 13  1  0  0  0  0 
  8 19  1  1  0  0  0 
 16 20  1  0  0  0  0 
  6 21  1  0  0  0  0 
  1 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  2  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  2  0  0  0  0 
 28 23  1  0  0  0  0 
 26 29  1  0  0  0  0 
S  SKP  8 
ID	FL4DAANC0002 
KNApSAcK_ID	C00008657 
NAME	Gericudranin E 
CAS_RN	172104-07-3 
FORMULA	C22H18O7 
EXACTMASS	394.10525293 
AVERAGEMASS	394.37412000000006 
SMILES	c(c4)c(ccc4O)Cc(c1O)c(cc(O2)c1C(C(C(c(c3)ccc(c3)O)2)O)=O)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox