Mol:FLNAA9NI0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 31  0  0  0  0  0  0  0  0999 V2000 
   -0.6287    0.3467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0724    0.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4837    0.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4837   -0.3192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0604   -0.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6371   -0.3192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6371    0.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0604    0.6798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6287   -0.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0724   -0.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0604   -1.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5075   -1.6369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5075   -2.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0604   -2.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6133   -2.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6133   -1.6369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2135    0.6795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0724    1.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6287    1.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0724   -1.1653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1848    0.6675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7407   -0.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1848   -0.6162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2135   -0.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1848   -1.2709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6287    2.2735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0726    2.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1848    2.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7408    0.3454    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  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  3  1  0  0  0  0 
  1  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10  4  1  0  0  0  0 
  5 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 
  7 17  2  0  0  0  0 
  2 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 10 20  1  0  0  0  0 
  1 21  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23  9  1  0  0  0  0 
 22 24  1  0  0  0  0 
 23 25  2  0  0  0  0 
 19 26  2  0  0  0  0 
 26 27  1  0  0  0  0 
 26 28  1  0  0  0  0 
 22 29  1  0  0  0  0 
S  SKP  8 
ID	FLNAA9NI0004 
KNApSAcK_ID	C00010220 
NAME	Mesuol;5,7-Dihydroxy-8-(3-methylbut-2-enyl)-6-isobutyryl-4-phenylcoumarin 
CAS_RN	16981-20-7 
FORMULA	C24H24O5 
EXACTMASS	392.162373878 
AVERAGEMASS	392.44436 
SMILES	O=C(O3)C=C(c(c32)c(c(C(=O)C(C)C)c(O)c(CC=C(C)C)2)O)c(c1)cccc1 
M  END