Mol:FL5FCCGS0009

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 45 49  0  0  0  0  0  0  0  0999 V2000 
    2.1342    1.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4198    1.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4198    2.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1342    3.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8487    2.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8487    1.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7053    1.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0092    1.9010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7237    1.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7237    0.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0092    0.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7053    0.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4381    1.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1526    1.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1526    0.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4381    0.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0092   -0.5740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8671    1.9010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4198    0.2510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4381   -0.5740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5632    3.1385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1342    3.9635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5632    1.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2726   -1.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3805   -2.1147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0396   -1.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8598   -1.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2067   -1.0220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5475   -1.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1798   -1.0363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3693   -0.9622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5361   -2.2407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1329   -2.0454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1240   -2.2751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6473   -3.2986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9942   -3.8031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3351   -3.3064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5149   -3.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1680   -2.7104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8272   -3.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1949   -2.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7440   -2.6506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9108   -3.9291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5076   -3.7338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2507   -3.9635    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 
 12 19  1  0  0  0  0 
 16 20  1  0  0  0  0 
  5 21  1  0  0  0  0 
  4 22  1  0  0  0  0 
 18 23  1  0  0  0  0 
 24 25  1  1  0  0  0 
 25 26  1  1  0  0  0 
 27 26  1  1  0  0  0 
 27 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
 29 24  1  0  0  0  0 
 29 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
 24 32  1  0  0  0  0 
 25 33  1  0  0  0  0 
 26 34  1  0  0  0  0 
 35 36  1  1  0  0  0 
 36 37  1  1  0  0  0 
 38 37  1  1  0  0  0 
 38 39  1  0  0  0  0 
 39 40  1  0  0  0  0 
 40 35  1  0  0  0  0 
 40 41  1  0  0  0  0 
 41 42  1  0  0  0  0 
 35 43  1  0  0  0  0 
 36 44  1  0  0  0  0 
 37 45  1  0  0  0  0 
 38 33  1  0  0  0  0 
 27 19  1  0  0  0  0 
S  SKP  8 
ID	FL5FCCGS0009 
KNApSAcK_ID	C00013905 
NAME	Quercetin 7-methyl ether 3-laminaribioside;Rhamnetin 3-laminaribioside;2-(3,4-Dihydroxyphenyl)-3-[(3-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one 
CAS_RN	194934-83-3 
FORMULA	C28H32O17 
EXACTMASS	640.163949598 
AVERAGEMASS	640.54348 
SMILES	C(O)C(O1)C(O)C(OC(C5O)OC(C(C(O)5)O)CO)C(O)C1OC(=C3c(c4)cc(c(c4)O)O)C(c(c(O3)2)c(cc(OC)c2)O)=O 
M  END