Mrv0541 03041416572D          

 15 14  0  0  0  0            999 V2000
    4.1176   -1.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8223   -1.5783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4027   -1.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1176   -2.8191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5308   -1.9802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6843   -1.9736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2372   -1.5647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9693   -1.5508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9506   -1.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2302   -0.7487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2508   -1.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9487   -0.7224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4031   -3.2316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4031   -4.0566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6887   -2.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  4 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
> <ID>
CHEBI:9661

> <NAME>
triacetin

> <DEFINITION>
A triglyceride obtained by acetylation of the three hydroxy groups of glycerol. It has fungistatic properties (based on release of acetic acid) and has been used in the topical treatment of minor dermatophyte infections.

> <STAR>
3

> <SYNONYM>
Triacetylglycerol; Triacetyl glycerine; Triacetyl glycerin; triacetin; Glyceryl triacetate; Glycerol triacetate; glycerin triacetate; E1518; E-1518; E 1518; 2-(Acetyloxy)-1-[(acetyloxy)methyl]ethyl acetate; 1,2,3-triacetylglycerol; 1,2,3-triacetoxypropane; 1,2,3-Propanetriyl triacetate; 1,2,3-Propanetriol triacetate

> <IUPAC_NAME>
propane-1,2,3-triyl triacetate

> <INN>
triacetinum; triacetine; triacetina; triacetin

> <BRAND_NAME>
Enzactin

> <FORMULA>
C9H14O6

> <MASS>
218.20390

> <MONOISOTOPIC_MASS>
218.07904

> <CHARGE>
0

> <SMILES>
CC(=O)OCC(COC(C)=O)OC(C)=O

> <INCHI>
InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3

> <INCHIKEY>
URAYPUMNDPQOKB-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1792353

> <CAS_REGISTRY_NUMBER>
102-76-1

> <REAXYS_REGISTRY_NUMBER>
1792353

> <CHEMIDPLUS>
102-76-1

> <KEGG_DRUG_ACCESSION>
D00384

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMGL03012615

> <NIST_CHEMISTRY_WEBBOOK>
102-76-1

> <WIKIPEDIA_ACCESSION>
Triacetin

> <PUBMED_CITATION>
14555416; 23293041; 23996800; 24574778

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