Mol:FLNAA9NI0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 32  0  0  0  0  0  0  0  0999 V2000 
   -0.3924    0.3486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1639    0.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7200    0.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7200   -0.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2968   -0.6503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8735   -0.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8735    0.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2968    0.6817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3924   -0.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1639   -0.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2968   -1.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7438   -1.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7438   -2.2735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2968   -2.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8497   -2.2735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8497   -1.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4498    0.6814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1639   -1.1634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5043   -0.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9485   -0.6143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9771   -0.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4498   -0.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9771   -1.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1639    1.3119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7188    1.6322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3910    1.6322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7188    2.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2726    2.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1651    2.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9485    0.6696    0.0000 O   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 
 10 18  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20  9  1  0  0  0  0 
 19 21  2  0  0  0  0 
 21 22  1  0  0  0  0 
 21 23  1  0  0  0  0 
  2 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 24 26  2  0  0  0  0 
 25 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
 27 29  1  0  0  0  0 
  1 30  1  0  0  0  0 
S  SKP  8 
ID	FLNAA9NI0005 
KNApSAcK_ID	C00010228 
NAME	5,7-Dihydroxy-6-(3-methylbut-2-enyl)-8-(3-methylbutyryl)-4-phenylcoumarin;Mammea A/BA 
CAS_RN	5224-54-4 
FORMULA	C25H26O5 
EXACTMASS	406.178023942 
AVERAGEMASS	406.47094 
SMILES	c(c21)(C(c(c3)cccc3)=CC(=O)O2)c(c(CC=C(C)C)c(O)c1C(=O)CC(C)C)O 
M  END