EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:35042 - UK 78282

ChEBI IDCHEBI:35042
ChEBI NameUK 78282
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC29H35NO2
Net Charge0
Average Mass429.604
Monoisotopic Mass429.26678
SMILESCOc1ccc(CCCN2CCC(COC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C29H35NO2/c1-31-28-16-14-24(15-17-28)9-8-20-30-21-18-25(19-22-30)23-32-29(26-10-4-2-5-11-26)27-12-6-3-7-13-27/h2-7,10-17,25,29H,8-9,18-23H2,1H3
InChIKeyWRTXEGOLODUQIE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
UK 78282 (CHEBI:35042) is a diarylmethane (CHEBI:51614)
Synonym  Source
UK 78282KEGG COMPOUND
Manual XrefsDatabases
C13848KEGG COMPOUND