View source for Mol:FLIAAAND0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 35  0  0  0  0  0  0  0  0999 V2000 
   -1.5940   -0.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8833    0.3245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8833    1.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5940    1.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3048    1.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3048    0.3245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1725   -0.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5382    0.3245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5382    1.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1725    1.5556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2701   -0.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2701   -0.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9883   -1.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7066   -0.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7066   -0.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9883    0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4248   -1.3421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1431   -0.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1431   -0.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4248    0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0853    1.3988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5677    0.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0853    0.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5940   -0.7295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1725   -0.6985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2176    0.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5224    1.2627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.8292    0.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4890    0.2649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5058   -1.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8292   -0.7435    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  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  3  1  0  0  0  0 
  8 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 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 11  1  0  0  0  0 
 14 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20 15  1  0  0  0  0 
  5 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23  6  1  0  0  0  0 
  1 24  1  0  0  0  0 
  7 25  2  0  0  0  0 
 22 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 26 28  1  0  0  0  0 
 26 29  1  0  0  0  0 
 18 30  1  0  0  0  0 
 18 31  1  0  0  0  0 
S  SKP  8 
ID	FLIAAAND0002 
KNApSAcK_ID	C00011150 
NAME	Ulexin C 
CAS_RN	405297-96-3 
FORMULA	C25H22O6 
EXACTMASS	418.141638436 
AVERAGEMASS	418.43858 
SMILES	c(c(C(C(=O)5)=COc(c45)cc(c3c4O)oc(c3)C(C)(C)O)2)c(C=1)c(cc2)OC(C1)(C)C 
M  END