Ketcher 10181815552D 1   1.00000     0.00000     0

 19 21  0     0  0            999 V2000
    9.3600  -13.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3600  -12.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4939  -13.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4939  -11.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279  -13.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279  -12.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2260  -13.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0920  -13.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2259  -11.5365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0920  -12.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2261  -14.5365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9580  -11.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8240  -12.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9580  -10.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6901  -11.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8239  -10.0363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6900  -10.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5559  -10.0362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4220  -10.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0     0  0
  4  2  2  0     0  0
  5  3  1  0     0  0
  6  4  1  0     0  0
  6  5  2  0     0  0
  7  1  1  0     0  0
  2  1  1  0     0  0
  8  7  1  0     0  0
  9  2  1  0     0  0
 10  8  1  0     0  0
 10  9  1  0     0  0
  7 11  2  0     0  0
 10 12  1  0     0  0
 13 12  1  0     0  0
 14 12  2  0     0  0
 15 13  2  0     0  0
 16 14  1  0     0  0
 17 15  1  0     0  0
 17 16  2  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
M  END
> <ID>
CHEBI:63329

> <NAME>
4'-methoxyflavanone

> <DEFINITION>
The parent member of the class of 4'-methoxyflavanones that is flavanone which is substituted by a methoxy group at the 4'-position.

> <STAR>
3

> <SYNONYM>
4'-methoxyflavanone; 2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one; 2,3-dihydro-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one

> <FORMULA>
C16H14O3

> <MASS>
254.281

> <MONOISOTOPIC_MASS>
254.09429

> <CHARGE>
0

> <SMILES>
C12=CC=CC=C1OC(CC2=O)C=3C=CC(=CC3)OC

> <INCHI>
InChI=1S/C16H14O3/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16/h2-9,16H,10H2,1H3

> <INCHIKEY>
QIUYUYOXCGBABP-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
3034-08-0

> <REAXYS_REGISTRY_NUMBER>
231033

> <CHEMIDPLUS>
3034-08-0

> <KEGG_COMPOUND_ACCESSION>
C19895

> <PUBMED_CITATION>
15961179; 19699481; 20045650; 22790704; 30304815

$$$$