Mol:FL3FACNN0001

From Metabolomics.JP
Jump to: navigation, search

FL3FACNN0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 36  0  0  0  0  0  0  0  0999 V2000 
   -3.3697   -0.5269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3697   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8517   -1.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3338   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3338   -0.5269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8517   -0.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8158   -1.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2978   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2978   -0.5269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8158   -0.2278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7133   -0.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1553   -0.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4027   -0.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4027    0.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1553    0.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7133    0.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9590   -0.5106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5153   -0.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5153    0.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9590    0.7741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2515    0.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7994    0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3472    0.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3472    1.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7994    1.8269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2515    1.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7220    1.7270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1611   -0.5623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7477   -0.2237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7220   -0.3235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8517   -1.8269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8158   -1.7850    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 
  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 
  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 
 13 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 14  1  0  0  0  0 
 19 21  1  1  0  0  0 
 21 22  2  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 21  1  0  0  0  0 
 24 27  1  0  0  0  0 
 18 28  1  6  0  0  0 
 28 29  1  0  0  0  0 
  1 30  1  0  0  0  0 
  3 31  1  0  0  0  0 
  7 32  2  0  0  0  0 
S  SKP  8 
ID	FL3FACNN0001 
KNApSAcK_ID	C00000673 
NAME	Sinaticin 
CAS_RN	- 
FORMULA	C24H18O8 
EXACTMASS	434.100167552 
AVERAGEMASS	434.39492 
SMILES	c(c(O)5)c(c(c4c5)C(=O)C=C(O4)c(c1)cc(O2)c(OC(c(c3)ccc(O)c3)C(CO)2)c1)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox