Mol:FL5FACNC0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 33  0  0  0  0  0  0  0  0999 V2000 
   -1.5040   -0.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5040   -0.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9477   -1.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3914   -0.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3914   -0.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9477    0.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1649   -1.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7212   -0.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7212   -0.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1649    0.0628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1649   -1.7227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2773    0.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8443   -0.2646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4112    0.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4112    0.7174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8443    1.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2773    0.7174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3010   -1.2071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9477   -1.8640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9477    0.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0371    0.0628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4919    1.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4919    1.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9873    1.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4827    1.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4827    1.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9873    0.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9781    1.8640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8443    1.6992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9781    1.0446    0.0000 O   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 
  6 20  1  0  0  0  0 
 21  1  1  0  0  0  0 
 20 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  2  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  2  0  0  0  0 
 27 22  1  0  0  0  0 
 25 28  1  0  0  0  0 
 16 29  1  0  0  0  0 
 15 30  1  0  0  0  0 
S  SKP  8 
ID	FL5FACNC0001 
KNApSAcK_ID	C00005039 
NAME	8-p-Hydroxybenzylquercetin 
CAS_RN	163399-32-4 
FORMULA	C22H16O8 
EXACTMASS	408.08451748799996 
AVERAGEMASS	408.35764000000006 
SMILES	C(C=3O)(=O)c(c(O)2)c(OC3c(c4)ccc(c4O)O)c(c(c2)O)Cc(c1)ccc(c1)O 
M  END