Ketcher 07171818452D 1   1.00000     0.00000     0

 12 12  0     0  0            999 V2000
    6.5767  -17.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4427  -18.3127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7106  -18.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5766  -16.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4426  -16.3128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4426  -15.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3087  -14.8127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3087  -13.8128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1746  -15.3127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5766  -14.8127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7105  -15.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7106  -16.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  4 12  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  6  7  1  0     0  0
  7  8  2  0     0  0
  7  9  1  0     0  0
  6 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
M  END
> <ID>
CHEBI:141284

> <NAME>
3-acetylbenzamide

> <DEFINITION>
A methyl ketone that is benzamide in which one of the meta hydrogens has been replaced by an acetyl group. It is a bacterial secondary metabolite from actinomycete strain WA23-4-4 isolated from the intestinal tract of Periplaneta americana (American cockroach), it shows significant antifungal activity against Candida albicans ATCC 10231 and Aspergillus niger ATCC 16404 but is less active against Trichophyton rubrum ATCC 60836 and Aspergillus fumigatus ATCC 96918.

> <STAR>
3

> <SYNONYM>
m-acetylbenzoylamide; 3-acetylbenzoylamide

> <IUPAC_NAME>
3-acetylbenzamide

> <FORMULA>
C9H9NO2

> <MASS>
163.174

> <MONOISOTOPIC_MASS>
163.06333

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C9H9NO2/c1-6(11)7-3-2-4-8(5-7)9(10)12/h2-5H,1H3,(H2,10,12)

> <INCHIKEY>
VTBUZDRQHQPEQY-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
4969128

> <PUBMED_CITATION>
29956124

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