EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:135388 - capobenic acid

Default Structure
ChEBI IDCHEBI:135388
ChEBI Namecapobenic acid
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC16H23NO6
Net Charge0
Average Mass325.361
Monoisotopic Mass325.15254
SMILESCOc1cc(C(=O)NCCCCCC(=O)O)cc(OC)c1OC
InChIInChI=1S/C16H23NO6/c1-21-12-9-11(10-13(22-2)15(12)23-3)16(20)17-8-6-4-5-7-14(18)19/h9-10H,4-8H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyMPTXLVRHYGBOQY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
capobenic acid (CHEBI:135388) is a benzamides (CHEBI:22702)
Synonym  Source
capobenate sodiumDrugCentral
Manual XrefsDatabases
481DrugCentral
Registry NumbersSources
CAS:21434-91-3DrugCentral