CHEBI:81003 - AL-294

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name AL-294
ChEBI ID CHEBI:81003
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H25ClO3
Net Charge 0
Average Mass 360.87400
Monoisotopic Mass 360.14922
InChI InChI=1S/C21H25ClO3/c1-4-24-20(23)19(22)14-16-10-12-18(13-11-16)25-15-21(2,3)17-8-6-5-7-9-17/h5-13,19H,4,14-15H2,1-3H3
InChIKey KIZXRDIROMPMKU-UHFFFAOYSA-N
SMILES CCOC(=O)C(Cl)Cc1ccc(OCC(C)(C)c2ccccc2)cc1
ChEBI Ontology
Outgoing AL-294 (CHEBI:81003) is a alkylbenzene (CHEBI:38976)
Synonym Source
Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate KEGG COMPOUND
Manual Xref Database
C17302 KEGG COMPOUND
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Registry Number Type Source
62516-91-0 CAS Registry Number KEGG COMPOUND