Mol:FL5FEANI0005

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 33  0  0  0  0  0  0  0  0999 V2000 
   -2.9262   -1.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8702   -1.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3964   -0.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9785   -1.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0345   -1.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5084   -2.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5047   -0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.0869   -0.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.1429   -1.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.6167   -1.9316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4611   -0.1528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.7249   -1.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.2611   -1.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.8545   -1.7356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.9115   -2.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.3752   -2.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.7819   -2.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3404   -0.1090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4002   -2.1253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -7.3906   -1.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -7.9826   -1.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -8.5176   -1.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -9.1082   -1.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -8.4608   -0.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -9.0192   -0.9104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -7.5047   -2.6645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -8.1805   -2.1913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2037   -1.3904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7872   -0.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.9061   -0.3496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.7252    0.2240    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 
  1 19  1  0  0  0  0 
 14 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
 22 25  1  0  0  0  0 
 15 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
  2 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
  8 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  30  31 
M  SBL   3  1  32 
M  SMT   3  OCH3 
M  SVB   3 32   -0.2962   -0.6761 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  28  29 
M  SBL   2  1  30 
M  SMT   2  OCH3 
M  SVB   2 30   -3.4461   -0.3996 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  26  27 
M  SBL   1  1  28 
M  SMT   1  OCH3 
M  SVB   1 28    1.7504    1.4543 
S  SKP  8 
ID	FL5FEANI0005 
KNApSAcK_ID	C00005019 
NAME	Aliarin 4'-methyl ether;5,7-Dihydroxy-2-[3-(4-hydroxy-3-methylbutyl)-4-methoxyphenyl]-3,6-dimethoxy-4H-1-benzopyran-4-one 
CAS_RN	88048-20-8 
FORMULA	C23H26O8 
EXACTMASS	430.162767808 
AVERAGEMASS	430.44774 
SMILES	O(C)C(=C2c(c3)cc(CCC(C)(C)O)c(OC)c3)C(=O)c(c(O2)1)c(c(OC)c(c1)O)O 
M  END