Mol:FL3FRNND0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 42 47  0  0  0  0  0  0  0  0999 V2000 
   -0.1508   -1.0843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1508   -0.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8652    0.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8652   -1.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5637   -1.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2782   -1.0843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2782   -0.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5637    0.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5637   -2.3218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5797   -1.0843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5797   -0.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8652   -2.3218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9927   -1.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7071   -1.0843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7071   -0.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9927    0.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4216    0.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4216    0.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7071    1.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9927    0.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9917   -0.1759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9942   -1.0843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9942   -1.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8189   -1.0843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2782    1.3907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0130    1.3197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2942    0.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0086   -0.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0086   -1.0843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2942   -1.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3944    0.1265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5332   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8652    0.7916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5777    1.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5777    1.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9305    2.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2347    2.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8788    1.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6025    2.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2704    1.9362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.8189    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2704    1.2353    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 11  2  0  0  0  0 
 10  4  2  0  0  0  0 
  4  1  1  0  0  0  0 
  1  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  2  0  0  0  0 
  7  8  1  0  0  0  0 
  8  2  1  0  0  0  0 
  5  9  2  0  0  0  0 
 11 10  1  0  0  0  0 
  4 12  1  0  0  0  0 
  6 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16  7  1  0  0  0  0 
 15 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20 16  1  0  0  0  0 
 20 25  1  0  0  0  0 
 17 21  1  0  0  0  0 
 14 22  1  0  0  0  0 
 22 21  1  0  0  0  0 
 22 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
 18 26  1  0  0  0  0 
 11 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
 29 30  2  0  0  0  0 
 30 10  1  0  0  0  0 
 28 31  1  0  0  0  0 
 28 32  1  0  0  0  0 
  3 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
 34 35  2  0  0  0  0 
 35 36  1  0  0  0  0 
 35 37  1  0  0  0  0 
 37 38  1  0  0  0  0 
 38 39  1  0  0  0  0 
 39 40  2  0  0  0  0 
 40 41  1  0  0  0  0 
 40 42  1  0  0  0  0 
S  SKP  8 
ID	FL3FRNND0003 
KNApSAcK_ID	C00013487 
NAME	Artoindonesianin A;13-[(2E)-3,7-Dimethyl-2,6-octadienyl]-5a,6-dihydro-1,3,8-trihydroxy-5,5,11,11-tetramethyl-5H,7H,11H-benzofuro[3,4-bc]pyrano[2,3-i]xanthen-7-one 
CAS_RN	223386-73-0 
FORMULA	C35H38O7 
EXACTMASS	570.26175357 
AVERAGEMASS	570.67202 
SMILES	C(C)(=CCc(c56)c(c(c(c(C=CC(C)(C)O6)5)O)4)OC(=C(C4=O)3)c(c21)c(O)cc(O)c1OC(C2C3)(C)C)CCC=C(C)C 
M  END