EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:195168 - Ianthelline

Default Structure
ChEBI IDCHEBI:195168
ChEBI NameIanthelline
Stars
DefinitionBromotyrosine derivative found in Aiolochroia crassa, Stryphnus fortis
Submitterntejera
DownloadsMolfile
FormulaC15H17Br2N5O3
Net Charge0
Average Mass475.141
Monoisotopic Mass472.96981
SMILESCOc1c(Br)cc(C/C(=N\O)C(=O)NCCc2cnc(N)n2)cc1Br
InChIInChI=1S/C15H17Br2N5O3/c1-25-13-10(16)4-8(5-11(13)17)6-12(22-24)14(23)19-3-2-9-7-20-15(18)21-9/h4-5,7,24H,2-3,6H2,1H3,(H,19,23)(H3,18,20,21)/b22-12+
InChIKeyHHMSDZNHWNYHBV-WSDLNYQXSA-N
Species of MetaboliteComponentSourceComments
Stryphnus fortis- PubMed (35233042)
ChEBI Ontology
Outgoing Relation(s)
Ianthelline (CHEBI:195168) is a organic molecular entity (CHEBI:50860)
Citations