Ketcher 06292116412D 1   1.00000     0.00000     0

 14 15  0     0  0            999 V2000
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    0.0022    0.7857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0022    1.7857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8682    0.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8682   -0.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7342    0.7857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7298   -1.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5959   -0.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5959    0.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6003   -0.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7342   -1.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  3  2  2  0     0  0
  4  2  1  0     0  0
  4  5  2  0     0  0
  6  4  1  0     0  0
  7  1  2  0     0  0
  8  1  1  0     0  0
  9  7  1  0     0  0
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 13 12  1  0     0  0
 14 13  2  0     0  0
  5 14  1  0     0  0
M  END
> <ID>
CHEBI:41308

> <NAME>
benzophenone

> <DEFINITION>
The simplest member of the class of benzophenones, being formaldehyde in which both hydrogens are replaced by phenyl groups.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:41306; CHEBI:3034

> <SYNONYM>
Ph2CO; DIPHENYLMETHANONE; Diphenyl ketone; benzoylbenzene; benzophenone; Benzophenone; alpha-oxoditane; alpha-oxodiphenylmethane

> <IUPAC_NAME>
diphenylmethanone; benzophenone

> <FORMULA>
C13H10O

> <MASS>
182.222

> <MONOISOTOPIC_MASS>
182.07316

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

> <INCHIKEY>
RWCCWEUUXYIKHB-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1238185

> <CAS_REGISTRY_NUMBER>
119-61-9

> <GMELIN_REGISTRY_NUMBER>
4256

> <REAXYS_REGISTRY_NUMBER>
1238185

> <CHEMIDPLUS>
119-61-9

> <DRUGBANK_ACCESSION>
DB01878

> <KEGG_COMPOUND_ACCESSION>
C06354

> <NIST_CHEMISTRY_WEBBOOK>
119-61-9

> <PDBECHEM_ACCESSION>
BZQ

> <WIKIPEDIA_ACCESSION>
Benzophenone

> <PUBMED_CITATION>
10728861; 10864504; 10877357; 14673848; 15373829; 15672204; 16212356; 16820853; 16853025; 16999485; 17439666; 17955805; 19388040; 19655709; 19939518; 20534002; 21238557; 21277784; 21919502; 23963450; 24226914; 25788150; 26254646; 26282042; 30720459; 32736220; 33682414

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