EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:88586 - alpha-Trichloromethylbenzyl acetate

ChEBI IDCHEBI:88586
ChEBI Namealpha-Trichloromethylbenzyl acetate
Stars
DownloadsMolfile
FormulaC10H9Cl3O2
Net Charge0
Average Mass267.539
Monoisotopic Mass265.96681
SMILESCC(=O)OC(c1ccccc1)C(Cl)(Cl)Cl
InChIInChI=1S/C10H9Cl3O2/c1-7(14)15-9(10(11,12)13)8-5-3-2-4-6-8/h2-6,9H,1H3
InChIKeyJKRWZLOCPLZZEI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) saliva (UBERON:0001836) PubMed (24421258)
ChEBI Ontology
Outgoing Relation(s)
alpha-Trichloromethylbenzyl acetate (CHEBI:88586) has functional parent benzyl alcohol (CHEBI:17987)
alpha-Trichloromethylbenzyl acetate (CHEBI:88586) is a carboxylic ester (CHEBI:33308)
Synonyms  Source
alpha-trichloromethylbenzyl acetic acidHMDB
a-trichloromethylbenzyl acetateHMDB
alpha-Trichloromethylbenzyl acetic acidHMDB
a-Trichloromethylbenzyl acetateHMDB
a-Trichloromethylbenzyl acetic acidHMDB
2,2,2-trichloro-1-phenylethyl acetateHMDB
Manual XrefsDatabases
HMDB0061807HMDB
Citations