Mol:FL2FALNP0021

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
   -3.1604   -0.9516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1419   -1.7554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3647   -2.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7099   -1.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6957   -0.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4214   -0.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9549   -2.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2811   -1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2904   -0.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9742   -0.5145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4241   -0.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1152   -0.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8226   -0.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8515    0.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1353    0.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4149    0.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9549   -2.9067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9441   -0.5301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3647   -2.9890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5213   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2489   -0.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2779    0.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5792    0.7303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9441    0.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6052    0.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1152   -1.5861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1353    1.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4732    1.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4732    2.6215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0603    2.9295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1097    2.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  9 11  1  6  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 
  7 17  2  0  0  0  0 
 18  1  1  0  0  0  0 
  3 19  1  0  0  0  0 
 13 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 14  1  0  0  0  0 
 22 24  1  0  0  0  0 
 22 25  1  0  0  0  0 
 12 26  1  0  0  0  0 
 15 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
 28 29  2  0  0  0  0 
 29 30  1  0  0  0  0 
 29 31  1  0  0  0  0 
S  SKP  8 
ID	FL2FALNP0021 
KNApSAcK_ID	C00014246 
NAME	Sanggenol N;(2S)-5,7,2'-Trihydroxy-5'-prenyl-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone 
CAS_RN	426211-26-9 
FORMULA	C25H26O6 
EXACTMASS	422.172938564 
AVERAGEMASS	422.47033999999996 
SMILES	CC(C)=CCc(c2)c(c(c(c2C(C3)Oc(c4)c(c(cc4O)O)C3=O)O)1)OC(C=C1)(C)C 
M  END