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CHEBI:34530 - Allocain-S

ChEBI IDCHEBI:34530
ChEBI NameAllocain-S
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H25NO2
Net Charge0
Average Mass311.425
Monoisotopic Mass311.18853
SMILESCCN(CC)C(C)C(OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO2/c1-4-21(5-2)16(3)19(17-12-8-6-9-13-17)23-20(22)18-14-10-7-11-15-18/h6-16,19H,4-5H2,1-3H3
InChIKeyYOGZOJPVXCHKKZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Allocain-S (CHEBI:34530) is a benzoate ester (CHEBI:36054)
Synonym  Source
Allocain-SKEGG COMPOUND
Manual XrefsDatabases
C14174KEGG COMPOUND