EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:135596 - micinicate

ChEBI IDCHEBI:135596
ChEBI Namemicinicate
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC23H27NO4
Net Charge0
Average Mass381.472
Monoisotopic Mass381.19401
SMILES[H]C(OC(=O)c1cccnc1)(C(=O)O[C@@]1([H])CC(C)(C)C[C@@]([H])(C)C1)c1ccccc1
InChIInChI=1S/C23H27NO4/c1-16-12-19(14-23(2,3)13-16)27-22(26)20(17-8-5-4-6-9-17)28-21(25)18-10-7-11-24-15-18/h4-11,15-16,19-20H,12-14H2,1-3H3/t16-,19+,20?/m0/s1
InChIKeyJVISQUVIQOJOOQ-VPSRXSMPSA-N
ChEBI Ontology
Outgoing Relation(s)
micinicate (CHEBI:135596) has functional parent benzyl alcohol (CHEBI:17987)
micinicate (CHEBI:135596) is a carboxylic ester (CHEBI:33308)
Synonym  Source
nicotinoyl cyclandelateDrugCentral
Manual XrefsDatabases
1799DrugCentral
Registry NumbersSources
CAS:39537-99-0DrugCentral