Mol:FL1A1AGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 33  0  0  0  0  0  0  0  0999 V2000 
   -0.0120   -0.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0120    0.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5312    0.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0505    0.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0505   -0.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5312   -0.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5582   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9106   -0.0775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5582    0.4076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5697    0.5221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3523   -0.0775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2362   -0.0775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5365   -0.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1370   -0.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4373   -0.0775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1370    0.4427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5365    0.4427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0368   -0.0775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7025   -1.1011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5230    0.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1518   -0.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6173    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1016    0.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4763    0.5637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9439    0.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0368    0.1687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7304   -0.0527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3111   -0.3308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3424    1.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5455    0.8876    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  1  1  0  0  0  0 
  1  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9  2  1  0  0  0  0 
  4 10  1  0  0  0  0 
  8 11  2  0  0  0  0 
 11 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 
 15 18  1  0  0  0  0 
  7 19  2  0  0  0  0 
 20 21  1  1  0  0  0 
 21 22  1  1  0  0  0 
 23 22  1  1  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 20  1  0  0  0  0 
 20 26  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 10  1  0  0  0  0 
 25 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  32 
M  SMT   1 ^CH2OH 
M  SBV   1 32   -6.7382    4.3051 
S  SKP  8 
ID	FL1A1AGS0001 
KNApSAcK_ID	C00008041 
NAME	Hispidol 6-glucoside 
CAS_RN	20550-08-7 
FORMULA	C21H20O9 
EXACTMASS	416.11073223799997 
AVERAGEMASS	416.37809999999996 
SMILES	Oc(c1)ccc(C=c(c4=O)oc(c43)cc(cc3)OC(O2)C(O)C(O)C(O)C2CO)c1 
M  END