Mol:FL3FAANSS001

From Metabolomics.JP
Revision as of 09:00, 14 March 2009 by Editor (Talk | contribs)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search

FL3FAANSS001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
   -0.8470    0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8470   -0.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3959   -0.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0552   -0.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0552    0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3959    0.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5062   -0.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9573   -0.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9573    0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5062    0.3259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5062   -1.1218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4082    0.3258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8679    0.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3276    0.3258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3276    0.8567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8679    1.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4082    0.8567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2979    0.3258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7872    1.1220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3959   -1.1221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1509    0.3258    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1509    0.9509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1509   -0.2253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7872    0.3258    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  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  1 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
 20  3  1  0  0  0  0 
 18 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 21 23  2  0  0  0  0 
 21 24  1  0  0  0  0 
S  SKP  8 
ID	FL3FAANSS001 
KNApSAcK_ID	C00004197 
NAME	Apigenin 7-sulfate 
CAS_RN	56857-56-8 
FORMULA	C15H10O8S 
EXACTMASS	350.00963798600003 
AVERAGEMASS	350.3011 
SMILES	Oc(c3)ccc(c3)C(=C2)Oc(c1)c(C(=O)2)c(O)cc1OS(O)(=O)=O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox