Mol:FL2FA9NC0001

From Metabolomics.JP
Jump to: navigation, search

FL2FA9NC0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 30  0  0  0  0  0  0  0  0999 V2000 
   -0.8195    0.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8195   -0.4580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2632   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2931   -0.4580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2931    0.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2632    0.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8494   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4057   -0.4580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4057    0.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8494    0.5055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9618    0.5054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5288    0.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0958    0.5054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0958    1.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5288    1.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9618    1.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8494   -1.3230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2632   -1.4213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3756    0.5054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3756   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9409   -0.4886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9409    0.1782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5183    0.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0958    0.1782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0958   -0.4886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5183   -0.8219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5183   -1.4874    0.0000 O   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  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 
  7 17  2  0  0  0  0 
  3 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
  2 20  1  0  0  0  0 
 20 21  1  0  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 
 26 27  1  0  0  0  0 
S  SKP  8 
ID	FL2FA9NC0001 
KNApSAcK_ID	C00008178 
NAME	Isochamanetin 
CAS_RN	58777-17-6 
FORMULA	C22H18O5 
EXACTMASS	362.115423686 
AVERAGEMASS	362.37532000000004 
SMILES	O=C(C3)c(c2OC3c(c4)cccc4)c(c(c(c2)O)Cc(c1)c(ccc1)O)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox