EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:175287 - Acidissiminol epoxide

Default Structure
ChEBI IDCHEBI:175287
ChEBI NameAcidissiminol epoxide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H31NO4
Net Charge0
Average Mass409.526
Monoisotopic Mass409.22531
SMILESC/C(=C\COc1ccc(CCNC(=O)c2ccccc2)cc1)C(O)CC1OC1(C)C
InChIInChI=1S/C25H31NO4/c1-18(22(27)17-23-25(2,3)30-23)14-16-29-21-11-9-19(10-12-21)13-15-26-24(28)20-7-5-4-6-8-20/h4-12,14,22-23,27H,13,15-17H2,1-3H3,(H,26,28)/b18-14+
InChIKeyQQKKFVXSQXUHPI-NBVRZTHBSA-N
ChEBI Ontology
Outgoing Relation(s)
Acidissiminol epoxide (CHEBI:175287) is a benzamides (CHEBI:22702)
IUPAC Name 
N-[2-[4-[(E)-5-(3,3-dimethyloxiran-2-yl)-4-hydroxy-3-methylpent-2-enoxy]phenyl]ethyl]benzamide
Manual XrefsDatabases
4515560ChemSpider
HMDB0040793HMDB