Ketcher 06121510592D 1   1.00000     0.00000     0

 17 18  0     0  0            999 V2000
   17.6602  -12.9183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7824  -13.4044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5193  -13.4084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6625  -11.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9233  -12.9144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7884  -14.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3928  -12.9223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5199  -11.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0747  -13.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3870  -11.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2071  -12.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2095  -11.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3501  -13.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3464  -11.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4286  -12.9194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4726  -11.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5980  -11.3818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  2  0     0  0
  3  7  1  0     0  0
  4  8  2  0     0  0
  5  9  2  0     0  0
  7 10  2  0     0  0
  9 11  1  0     0  0
 11 12  2  0     0  0
 11 13  1  0     0  0
 12 14  1  0     0  0
 13 15  2  0     0  0
 14 16  2  0     0  0
  8 10  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
M  END
> <ID>
CHEBI:34423

> <NAME>
4-hydroxychalcone

> <DEFINITION>
A member of the class of chalcones that is trans-chalcone substituted by a hydroxy group at position 4.

> <STAR>
3

> <IUPAC_NAME>
(2E)-3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one

> <FORMULA>
C15H12O2

> <MASS>
224.25460

> <MONOISOTOPIC_MASS>
224.08373

> <CHARGE>
0

> <SMILES>
Oc1ccc(\C=C\C(=O)c2ccccc2)cc1

> <INCHI>
InChI=1S/C15H12O2/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11,16H/b11-8+

> <INCHIKEY>
PWWCDTYUYPOAIU-DHZHZOJOSA-N

> <CAS_REGISTRY_NUMBER>
20426-12-4

> <REAXYS_REGISTRY_NUMBER>
2049157

> <CHEMIDPLUS>
20426-12-4

> <KEGG_COMPOUND_ACCESSION>
C14231

> <PUBMED_CITATION>
20957597; 25003119

$$$$