EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:756212 - oxetorone fumarate

Default Structure
ChEBI IDCHEBI:756212
ChEBI Nameoxetorone fumarate
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC4H4O4.C21H21NO2
Net Charge0
Average Mass435.476
Monoisotopic Mass435.16819
SMILESCN(C)CCC=C1c2ccccc2OCc2c1oc1ccccc21.O=C(O)/C=C/C(=O)O
InChIInChI=1S/C21H21NO2.C4H4O4/c1-22(2)13-7-10-17-15-8-3-5-11-19(15)23-14-18-16-9-4-6-12-20(16)24-21(17)18;5-3(6)1-2-4(7)8/h3-6,8-12H,7,13-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKeyDQHRYCOJUKGIDH-WLHGVMLRSA-N
ChEBI Ontology
Outgoing Relation(s)
oxetorone fumarate (CHEBI:756212) is a oxacycle (CHEBI:38104)
Synonym  Source
L-6257ChEMBL