5355469
  CDK     1029202310

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.3644   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0 
  1 21  1  0  0  0  0 
  2 10  1  0  0  0  0 
  2 22  1  0  0  0  0 
  3  8  1  0  0  0  0 
  4 11  2  0  0  0  0 
  5 18  1  0  0  0  0 
  5 23  1  0  0  0  0 
  6  7  1  0  0  0  0 
  6  8  2  0  0  0  0 
  6 11  1  0  0  0  0 
  7  9  2  0  0  0  0 
  8 12  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 12  2  0  0  0  0 
 11 14  1  0  0  0  0 
 13 15  1  0  0  0  0 
 13 16  2  0  0  0  0 
 13 17  1  0  0  0  0 
 14 15  2  0  0  0  0 
 16 19  1  0  0  0  0 
 17 20  2  0  0  0  0 
 18 19  2  0  0  0  0 
 18 20  1  0  0  0  0 
M  END
> <ID>
CHEBI:157725

> <NAME>
Flavokawain A

> <STAR>
2

> <IUPAC_NAME>
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

> <FORMULA>
C18H18O5

> <MASS>
314.337

> <MONOISOTOPIC_MASS>
314.11542

> <CHARGE>
0

> <SMILES>
O(C=1C(=C(O)C=C(OC)C1)C(=O)/C=C/C2=CC=C(OC)C=C2)C

> <INCHI>
InChI=1S/C18H18O5/c1-21-13-7-4-12(5-8-13)6-9-15(19)18-16(20)10-14(22-2)11-17(18)23-3/h4-11,20H,1-3H3/b9-6+

> <INCHIKEY>
CGIBCVBDFUTMPT-RMKNXTFCSA-N

$$$$