Mol:FLNAA9NP0008

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 33  0  0  0  0  0  0  0  0999 V2000 
   -0.3924    0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1639    1.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7200    0.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7200    0.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2968   -0.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8735    0.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8735    0.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2968    1.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3924    0.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1639   -0.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2968   -0.9850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7438   -1.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7438   -1.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2968   -2.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8497   -1.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8497   -1.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4498    1.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1639    1.6428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3924    1.9640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1639   -0.8326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9485    1.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5043    0.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9485   -0.2835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9771   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9485   -0.9383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9485    1.6428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4234    1.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9485    2.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4498    0.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5043    0.5590    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  2  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  1  0  0  0  0 
 26 21  1  0  0  0  0 
 26 27  1  0  0  0  0 
 26 28  1  0  0  0  0 
 24 29  1  0  0  0  0 
 22 30  1  0  0  0  0 
S  SKP  8 
ID	FLNAA9NP0008 
KNApSAcK_ID	C00010222 
NAME	5-Hydroxy-6'',6''-dimethyl-6-(2-methylbutyryl)-4-phenylpyrano[2'',3'':7,8]coumarin;MAB5 
CAS_RN	30390-18-2 
FORMULA	C25H24O5 
EXACTMASS	404.162373878 
AVERAGEMASS	404.45506 
SMILES	c(C(C(C)CC)=O)(c(O)4)c(c1c(c24)OC(=O)C=C2c(c3)cccc3)OC(C=C1)(C)C 
M  END