Mol:FL3FAANP0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 33  0  0  0  0  0  0  0  0999 V2000 
   -1.3936   -0.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3936   -0.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8373   -1.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2810   -0.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2810   -0.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8373    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2753   -1.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8316   -0.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8316   -0.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2753    0.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2753   -1.7854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3877   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9546   -0.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5216   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5216    0.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9546    0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3877    0.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8373   -1.9267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8373    0.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0623    0.8326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3934    0.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3934    1.6057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8373    1.9267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9495    1.9267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9499    0.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5062   -0.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5062   -0.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9499   -1.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0623   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5062    0.3211    0.0000 C   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 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  3 18  1  0  0  0  0 
  6 19  1  0  0  0  0 
 20 15  1  0  0  0  0 
 19 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
  1 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  2  0  0  0  0 
 28  2  1  0  0  0  0 
 26 29  1  0  0  0  0 
 26 30  1  0  0  0  0 
S  SKP  8 
ID	FL3FAANP0005 
KNApSAcK_ID	C00004094 
NAME	Isolaxifolin;5-Hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methyl-2-butenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one 
CAS_RN	144049-82-1 
FORMULA	C25H24O5 
EXACTMASS	404.162373878 
AVERAGEMASS	404.45506 
SMILES	c(c32)(C(=O)C=C(c(c4)ccc(c4)O)O3)c(O)c(c1c2CC=C(C)C)C=CC(O1)(C)C 
M  END