Mol:FL5FAAGS0119

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 46 50  0  0  0  0  0  0  0  0999 V2000 
    1.2941    3.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2941    2.3413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0086    1.9288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7230    2.3413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7230    3.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0086    3.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5796    1.9288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1348    2.3413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8493    1.9288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8493    1.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1348    0.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5796    1.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5638    2.3413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2782    1.9288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2782    1.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5638    0.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1348   -0.0269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9927    2.3413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1860    0.7538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3238    3.5132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5638   -0.0082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2633   -1.5623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5579   -1.6407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8505   -0.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4953   -0.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6740   -0.2761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3814   -1.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2278   -0.8204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7318   -1.0506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7480   -1.6438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1326   -2.2109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4647   -1.0983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6496   -2.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2371   -3.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4390   -2.9742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6458   -3.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0583   -2.4864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8564   -2.6955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0900   -3.5788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7740   -2.8733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3238   -2.8580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9915   -2.1911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3787   -1.9676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9005   -1.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3810   -1.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8893   -1.1261    0.0000 C   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 
  5 20  1  0  0  0  0 
 16 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 19  1  0  0  0  0 
 33 34  1  1  0  0  0 
 34 35  1  1  0  0  0 
 36 35  1  1  0  0  0 
 36 37  1  0  0  0  0 
 37 38  1  0  0  0  0 
 38 33  1  0  0  0  0 
 35 39  1  0  0  0  0 
 34 40  1  0  0  0  0 
 33 41  1  0  0  0  0 
 38 42  1  0  0  0  0 
 42 43  1  0  0  0  0 
 43 45  1  0  0  0  0 
 44 45  2  0  0  0  0 
 45 46  1  0  0  0  0 
 36 31  1  0  0  0  0 
S  SKP  8 
ID	FL5FAAGS0119 
KNApSAcK_ID	C00013786 
NAME	Kaempferol 3-(6''-acetylglucosyl)-(1->3)-galactoside;Ricinitin;3-[[3-O-(6-O-Acetyl-beta-D-glucopyranosyl)-beta-D-galactopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one 
CAS_RN	195702-53-5 
FORMULA	C29H32O17 
EXACTMASS	652.163949598 
AVERAGEMASS	652.55418 
SMILES	C(O)C(C4O)OC(C(C4OC(C5O)OC(C(C(O)5)O)COC(C)=O)O)OC(=C(c(c3)ccc(O)c3)1)C(=O)c(c2O)c(cc(c2)O)O1 
M  END