Mol:FL3FACGSS003

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 36 39  0  0  0  0  0  0  0  0999 V2000 
    2.6349    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6349    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3493    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0638    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0638    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3493    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9204    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2059    0.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4915    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4915   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2059   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9204   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2230    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9375    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9375   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2230   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2059   -1.7933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6520    0.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2230   -1.7609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7694    1.8016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6383    0.2433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2863    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8738    0.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0757    0.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2825    0.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6950    0.7448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4931    0.5358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6500    1.1215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1297    1.3984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7694    0.2794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3224    0.3070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2472   -0.3827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2472   -1.1487    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6480   -1.1487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8563   -1.1487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2472   -1.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  2  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12  7  2  0  0  0  0 
  9 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 10  1  0  0  0  0 
 14 18  1  0  0  0  0 
 11 17  2  0  0  0  0 
 16 19  1  0  0  0  0 
  5 20  1  0  0  0  0 
  4 21  1  0  0  0  0 
 22 23  1  1  0  0  0 
 23 24  1  1  0  0  0 
 25 24  1  1  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 22  1  0  0  0  0 
 27 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
 22 30  1  0  0  0  0 
 23 31  1  0  0  0  0 
 24 32  1  0  0  0  0 
 25 18  1  0  0  0  0 
 32 33  1  0  0  0  0 
 33 34  2  0  0  0  0 
 33 35  2  0  0  0  0 
 33 36  1  0  0  0  0 
S  SKP  8 
ID	FL3FACGSS003 
KNApSAcK_ID	C00013671 
NAME	Luteorin 7-(2''-sulfatoglucoside);Thalassiolin A;2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-[(2-O-sulfo-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one 
CAS_RN	207683-70-3 
FORMULA	C21H20O14S 
EXACTMASS	528.057376038 
AVERAGEMASS	528.4411 
SMILES	O(S(O)(=O)=O)C(C4O)C(OC(C4O)CO)Oc(c3)cc(c(c(O)3)2)OC(=CC(=O)2)c(c1)cc(c(O)c1)O 
M  END