Mol:FL5FACNSS005

From Metabolomics.JP
Jump to: navigation, search

FL5FACNSS005.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 32  0  0  0  0  0  0  0  0999 V2000 
   -1.9630   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9630   -1.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067   -1.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8504   -1.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8504   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067   -0.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941   -1.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2622   -1.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2622   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941   -0.3933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941   -2.1789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183   -0.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853   -0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9523   -0.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9523    0.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853    0.5886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183    0.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067   -2.3202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5191    0.5885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8833   -1.7251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2033   -1.7251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5639   -1.7192    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5639   -1.2297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5639   -2.2629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853    1.7793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853    2.3202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9859    1.7793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7930    1.7793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5191   -0.3934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853    0.9976    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 
  3 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
  8 20  1  0  0  0  0 
 22 23  2  0  0  0  0 
 22 24  2  0  0  0  0 
 21 22  1  0  0  0  0 
 20 22  1  0  0  0  0 
 25 26  1  0  0  0  0 
 25 27  2  0  0  0  0 
 25 28  2  0  0  0  0 
  1 29  1  0  0  0  0 
 16 30  1  0  0  0  0 
 30 25  1  0  0  0  0 
S  SKP  8 
ID	FL5FACNSS005 
KNApSAcK_ID	C00004960 
NAME	Quercetin 3,3'-di-O-sulfate 
CAS_RN	108909-05-3 
FORMULA	C15H10O13S2 
EXACTMASS	461.956281786 
AVERAGEMASS	462.3641 
SMILES	Oc(c3)cc(O1)c(c(O)3)C(=O)C(OS(O)(=O)=O)=C1c(c2)cc(c(O)c2)OS(O)(=O)=O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox