5357488
  CDK     1202211636

 21 22  0  0  0  0  0  0  0  0999 V2000
    3.5220   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0943    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0943    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0 
  1 20  1  0  0  0  0 
  2  7  1  0  0  0  0 
  3 17  1  0  0  0  0 
  3 21  1  0  0  0  0 
  4  9  2  0  0  0  0 
  5  7  2  0  0  0  0 
  5  8  1  0  0  0  0 
  5  9  1  0  0  0  0 
  6 12  1  0  0  0  0 
  6 15  2  0  0  0  0 
  6 16  1  0  0  0  0 
  7 11  1  0  0  0  0 
  8 13  2  0  0  0  0 
  9 14  1  0  0  0  0 
 10 11  2  0  0  0  0 
 10 13  1  0  0  0  0 
 12 14  2  0  0  0  0 
 15 18  1  0  0  0  0 
 16 19  2  0  0  0  0 
 17 18  2  0  0  0  0 
 17 19  1  0  0  0  0 
M  END
> <ID>
CHEBI:184704

> <NAME>
Isoliquiritigenin 4,4'-dimethyl ether

> <STAR>
2

> <IUPAC_NAME>
(E)-1-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

> <FORMULA>
C17H16O4

> <MASS>
284.311

> <MONOISOTOPIC_MASS>
284.10486

> <CHARGE>
0

> <SMILES>
O(C1=CC(O)=C(C=C1)C(=O)\C=C\C2=CC=C(OC)C=C2)C

> <INCHI>
InChI=1S/C17H16O4/c1-20-13-6-3-12(4-7-13)5-10-16(18)15-9-8-14(21-2)11-17(15)19/h3-11,19H,1-2H3/b10-5+

> <INCHIKEY>
OAAPAFSEMHJNTF-BJMVGYQFSA-N

> <CAS_REGISTRY_NUMBER>
2198-19-8

> <CHEMIDPLUS>
2198-19-8

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12120100

$$$$