Mol:FLIA1CNI0001

From Metabolomics.JP
Jump to: navigation, search

FLIA1CNI0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 29  0  0  0  0  0  0  0  0999 V2000 
   -0.8785    1.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8785    0.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3222    0.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2341    0.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2341    1.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3222    1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7904    0.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3467    0.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3467    1.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7904    1.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9028    0.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9028   -0.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4976   -0.7856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0924   -0.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0924    0.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4976    0.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7904   -0.3977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4354    1.4968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6404   -1.4574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3234   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6028   -0.9018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9636    1.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5203    1.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0474    1.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6028    1.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0191    0.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  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  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 
  7 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
 13 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 14  1  0  0  0  0 
 18 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 
 24 26  1  0  0  0  0 
S  SKP  8 
ID	FLIA1CNI0001 
KNApSAcK_ID	C00009439 
NAME	Maximaisoflavone B 
CAS_RN	4737-28-4 
FORMULA	C21H18O5 
EXACTMASS	350.115423686 
AVERAGEMASS	350.36462 
SMILES	O(C1)c(c2)c(ccc(C(C4=O)=COc(c43)cc(cc3)OCC=C(C)C)2)O1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox