Mol:FL5FADNI0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 30  0  0  0  0  0  0  0  0999 V2000 
   -1.1318   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1318   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5755   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0192   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0192   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5755    0.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5371   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0934   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0934   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5371    0.1844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5371   -1.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6495    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2165   -0.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7834    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7834    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2165    1.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6495    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6732   -1.0855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5755   -1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7834    0.8390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6879   -1.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2428   -0.7798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7965   -1.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3503   -0.7798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7965   -1.7389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6879    0.1843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4999    1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9413    2.6397    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 
  8 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
  2 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 24  1  0  0  0  0 
 23 25  1  0  0  0  0 
  1 26  1  0  0  0  0 
 16 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  27  28 
M  SBL   1  1  29 
M  SMT   1  OCH3 
M  SVB   1 29    2.4999    1.7424 
S  SKP  8 
ID	FL5FADNI0001 
KNApSAcK_ID	C00005013 
NAME	Gancaonin P 3'methyl ether;3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one 
CAS_RN	151776-21-5 
FORMULA	C21H20O7 
EXACTMASS	384.120902994 
AVERAGEMASS	384.37929999999994 
SMILES	C(c(c3O)c(O)cc(c31)OC(c(c2)cc(c(O)c2)OC)=C(C1=O)O)C=C(C)C 
M  END