CHEBI:80939 - Furocaespitane

ChEBI IDCHEBI:80939
ChEBI NameFurocaespitane
Stars
DownloadsMolfile
FormulaC12H16BrClO
Net Charge0
Average Mass291.616
Monoisotopic Mass290.00730
SMILESCc1occc1[C@H]1CC[C@](C)(Cl)[C@@H](Br)C1
InChIInChI=1S/C12H16BrClO/c1-8-10(4-6-15-8)9-3-5-12(2,14)11(13)7-9/h4,6,9,11H,3,5,7H2,1-2H3/t9-,11-,12-/m0/s1
InChIKeyPIJSECHHFPTCLU-DLOVCJGASA-N
ChEBI Ontology
Outgoing Relation(s)
Furocaespitane (CHEBI:80939) is a furans (CHEBI:24129)
Manual XrefsDatabases
C17113KEGG COMPOUND
C00011941KNApSAcK
Registry NumbersSources
CAS:51847-78-0KEGG COMPOUND