5711223
  CDK     0404242200

 20 21  0  0  0  0  0  0  0  0999 V2000
    7.0943    2.8091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0929   -0.9034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219   -3.3784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.3341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508    1.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -1.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219   -0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364    1.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -1.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654    1.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508    2.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3798    2.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -2.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3798    1.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654    2.8091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -2.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219   -2.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0943    3.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0 
  1 20  1  0  0  0  0 
  2  7  1  0  0  0  0 
  3 19  1  0  0  0  0 
  4  8  2  0  0  0  0 
  5  7  2  0  0  0  0 
  5  8  1  0  0  0  0 
  5 10  1  0  0  0  0 
  6  9  1  0  0  0  0 
  6 11  2  0  0  0  0 
  6 12  1  0  0  0  0 
  7 15  1  0  0  0  0 
  8 13  1  0  0  0  0 
  9 13  2  0  0  0  0 
 10 18  2  0  0  0  0 
 11 16  1  0  0  0  0 
 12 17  2  0  0  0  0 
 14 16  2  0  0  0  0 
 14 17  1  0  0  0  0 
 15 19  2  0  0  0  0 
 18 19  1  0  0  0  0 
M  END
> <ID>
CHEBI:229992

> <NAME>
2',4'-Dihydroxy-4-methoxychalcone

> <STAR>
2

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

> <FORMULA>
C16H14O4

> <MASS>
270.284

> <MONOISOTOPIC_MASS>
270.08921

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C16H14O4/c1-20-13-6-2-11(3-7-13)4-9-15(18)14-8-5-12(17)10-16(14)19/h2-10,17,19H,1H3/b9-4+

> <INCHIKEY>
ADRQFDIWPRFKSP-RUDMXATFSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12120097

$$$$