EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:174438 - Retrofractamide C

ChEBI IDCHEBI:174438
ChEBI NameRetrofractamide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H27NO3
Net Charge0
Average Mass329.440
Monoisotopic Mass329.19909
SMILESCC(C)CNC(=O)/C=C/CCCC/C=C/c1ccc2c(c1)OCO2
InChIInChI=1S/C20H27NO3/c1-16(2)14-21-20(22)10-8-6-4-3-5-7-9-17-11-12-18-19(13-17)24-15-23-18/h7-13,16H,3-6,14-15H2,1-2H3,(H,21,22)/b9-7+,10-8+
InChIKeyPAXQNYHJDFKFEU-FIFLTTCUSA-N
ChEBI Ontology
Outgoing Relation(s)
Retrofractamide C (CHEBI:174438) is a benzodioxoles (CHEBI:38298)
IUPAC Name 
(2E,8E)-9-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)nona-2,8-dienamide
Manual XrefsDatabases
23321408ChemSpider
HMDB0033448HMDB