Mol:FL5FAAGS0073

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 43 47  0  0  0  0  0  0  0  0999 V2000 
    3.6034    1.3904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6034    0.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3179    0.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0324    0.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0324    1.3904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3179    1.8029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8890    0.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1745    0.5654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4600    0.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4600   -0.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1745   -1.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8890   -0.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7456    0.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0311    0.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0311   -0.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7456   -1.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1745   -1.8029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6834    0.5654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4953   -1.0222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.6331    1.7372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7456   -1.7842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3845    0.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9720    0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1740    0.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3807    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7932    0.8416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5913    0.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7482    1.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2279    1.4952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8676    0.3762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4206    0.4037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3454   -0.2859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.1500   -0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7375   -0.9937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9395   -0.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1462   -1.0114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5587   -0.2969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3568   -0.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5137    0.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.9934    0.3567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.6331   -0.7623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.1861   -0.7348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1109   -1.4244    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 
  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 
 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 
 38 39  1  0  0  0  0 
 39 40  1  0  0  0  0 
 33 41  1  0  0  0  0 
 34 42  1  0  0  0  0 
 35 43  1  0  0  0  0 
 36 32  1  0  0  0  0 
 25 18  1  0  0  0  0 
S  SKP  8 
ID	FL5FAAGS0073 
KNApSAcK_ID	C00013740 
NAME	Kaempferol 7-sophoroside;7-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one 
CAS_RN	195621-97-7 
FORMULA	C27H30O16 
EXACTMASS	610.153384912 
AVERAGEMASS	610.5175 
SMILES	Oc(c5)ccc(c5)C(=C(O)4)Oc(c1C4=O)cc(OC(O3)C(C(O)C(C(CO)3)O)OC(O2)C(C(O)C(C2CO)O)O)cc1O 
M  END