Mrv0541 01161416462D          

 21 24  0  0  0  0            999 V2000
   -0.7493   -1.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4656   -1.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0330   -1.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0330   -0.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4656   -0.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7493   -0.0900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1819   -1.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7493   -2.5459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1819   -0.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6628   -0.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8982   -1.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8982   -0.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1819   -2.5459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3791   -0.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6628    0.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6145   -1.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8982   -2.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0954   -0.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3791    1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6145   -2.5459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0954    0.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  8  1  2  0  0  0  0
  5  2  2  0  0  0  0
  7  2  1  0  0  0  0
  4  3  2  0  0  0  0
  6  4  1  0  0  0  0
 10  4  1  0  0  0  0
  9  5  1  0  0  0  0
  6  5  1  0  0  0  0
 11  7  2  0  0  0  0
 13  7  1  0  0  0  0
 12  9  2  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 12 11  1  0  0  0  0
 16 11  1  0  0  0  0
 17 13  2  0  0  0  0
 18 14  1  0  0  0  0
 19 15  2  0  0  0  0
 20 16  2  0  0  0  0
 20 17  1  0  0  0  0
 21 18  2  0  0  0  0
 21 19  1  0  0  0  0
M  END
> <ID>
CHEBI:77013

> <NAME>
beta-naphthoflavone

> <DEFINITION>
An extended flavonoid resulting from the formal fusion of a benzene ring with the f side of flavone.

> <STAR>
3

> <SYNONYM>
beta-NF; benzo[f]flavone; 5,6-benzoflavone; 3-phenyl-1H-naphtho(2,1-b)pyran-1-one

> <IUPAC_NAME>
3-phenyl-1H-benzo[f]chromen-1-one

> <FORMULA>
C19H12O2

> <MASS>
272.29740

> <MONOISOTOPIC_MASS>
272.08373

> <CHARGE>
0

> <SMILES>
O=c1cc(oc2ccc3ccccc3c12)-c1ccccc1

> <INCHI>
InChI=1S/C19H12O2/c20-16-12-18(14-7-2-1-3-8-14)21-17-11-10-13-6-4-5-9-15(13)19(16)17/h1-12H

> <INCHIKEY>
OUGIDAPQYNCXRA-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
6051-87-2

> <REAXYS_REGISTRY_NUMBER>
18991

> <CHEMIDPLUS>
6051-87-2

> <DRUGBANK_ACCESSION>
DB06732

> <NIST_CHEMISTRY_WEBBOOK>
6051-87-2

> <WIKIPEDIA_ACCESSION>
Beta-Naphthoflavone

> <PUBMED_CITATION>
11697852; 16730384; 18535361; 19969063; 20060304; 20843940; 21624442; 22167217; 24163404; 3924427; 8430058

$$$$