Mol:FL1CBANP0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
   -3.6214    0.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6214   -0.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9069   -0.5939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1924   -0.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1924    0.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9069    1.0561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3358    1.0561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4779   -0.5939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7635   -0.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0490   -0.5939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0490   -1.4189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6655   -0.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3799   -0.5939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0944   -0.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0944    0.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3799    1.0561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6655    0.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3799   -1.4189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0490    1.0561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7635    0.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8089   -0.5939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5234   -0.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5234    0.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8089    1.0561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8055    1.4189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3358    0.5004    0.0000 C   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 
  4  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 10 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 
 13 18  1  0  0  0  0 
 17 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 14 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 15  1  0  0  0  0 
 23 25  1  0  0  0  0 
 23 26  1  0  0  0  0 
S  SKP  8 
ID	FL1CBANP0001 
KNApSAcK_ID	C00014476 
NAME	Xanthohumol C;6'',6''-Dimethylpyrano[2'',3'':4',3']-4,2'-dihydroxy-6'-methoxychalcone 
CAS_RN	189299-05-6 
FORMULA	C21H20O5 
EXACTMASS	352.13107375 
AVERAGEMASS	352.3805 
SMILES	COc(c2C(=O)C=Cc(c3)ccc(O)c3)cc(c(c2O)1)OC(C=C1)(C)C 
M  END