Mol:FL1C1ANI0015

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 30  0  0  0  0  0  0  0  0999 V2000 
    3.3650    0.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3650   -0.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9213   -0.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4776   -0.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4776    0.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9213    0.9184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2318   -0.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7881   -0.3457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6757   -0.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1148   -0.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6757   -0.9864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1148    0.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5621    0.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0095    0.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0095   -0.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5621   -0.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5621   -0.9691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6171    0.9864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1696    0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7221    0.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2747    0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8272    0.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3797    0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9322    0.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4836    0.6681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2747    0.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.0337    0.9857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4836    0.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0337    0.9182    0.0000 O   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 
  7  8  2  0  0  0  0 
  7  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
  2  8  1  0  0  0  0 
 10 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 10  1  0  0  0  0 
 16 17  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 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 24  1  0  0  0  0 
 24 25  2  0  0  0  0 
 14 18  1  0  0  0  0 
 21 26  1  0  0  0  0 
 25 27  1  0  0  0  0 
 25 28  1  0  0  0  0 
  5 29  1  0  0  0  0 
S  SKP  8 
ID	FL1C1ANI0015 
KNApSAcK_ID	C00007123 
NAME	4'-Geranyloxy-4,2'-dihydroxychalcone 
CAS_RN	130289-23-5 
FORMULA	C25H28O4 
EXACTMASS	392.19875938399997 
AVERAGEMASS	392.48742 
SMILES	C(=C(C)C)CCC(=CCOc(c2)cc(O)c(c2)C(=O)C=Cc(c1)ccc(O)c1)C 
M  END