Mol:FL5FADGS0010

From Metabolomics.JP
Jump to: navigation, search

FL5FADGS0010.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
   -2.3903   -2.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1189   -2.8340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4789   -2.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1105   -2.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3820   -1.7815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0219   -1.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4706   -2.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1021   -1.8935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3736   -1.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0136   -1.2553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2589   -2.8736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0053   -0.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6469   -0.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0224   -0.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7458    0.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0935    0.3442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2820   -0.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0300   -2.1957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2076   -3.4719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6521    0.7098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5375   -1.9495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0491    1.5547    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    1.7537    1.0430    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.3217    1.2054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8932    1.0430    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    3.1887    1.5547    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.6206    1.3924    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    1.8550    2.0883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6614    1.8584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6149    1.3086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1069    0.9861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1277    1.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0878    0.7593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0878   -0.0657    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 
  3 19  1  0  0  0  0 
 20 15  1  0  0  0  0 
  8 21  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  1  0  0  0 
 24 25  1  1  0  0  0 
 26 25  1  1  0  0  0 
 26 27  1  0  0  0  0 
 27 22  1  0  0  0  0 
 22 28  1  0  0  0  0 
 27 29  1  0  0  0  0 
 26 30  1  0  0  0  0 
 20 23  1  0  0  0  0 
 16 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
 25 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  33  34 
M  SBL   2  1  36 
M  SMT   2  CH2OH 
M  SVB   2 36    3.2362    1.0697 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  34 
M  SMT   1  OCH3 
M  SVB   1 34    0.2371    1.6874 
S  SKP  8 
ID	FL5FADGS0010 
KNApSAcK_ID	C00005532 
NAME	Isorhamnetin 4'-glucoside 
CAS_RN	58902-89-9 
FORMULA	C22H22O12 
EXACTMASS	478.111126168 
AVERAGEMASS	478.40288000000004 
SMILES	OC(C4O)[C@@H](O[C@H](CO)[C@@H]4O)Oc(c3)c(OC)cc(c3)C(=C1O)Oc(c2)c(c(O)cc2O)C1=O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox