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CHEBI:3456 - Cassine

ChEBI IDCHEBI:3456
ChEBI NameCassine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC18H35NO2
Net Charge0
Average Mass297.483
Monoisotopic Mass297.26678
SMILESCC(=O)CCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)N1
InChIInChI=1S/C18H35NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h16-19,21H,3-14H2,1-2H3/t16-,17+,18-/m1/s1
InChIKeyQPRMGHKASRLPJP-FGTMMUONSA-N
ChEBI Ontology
Outgoing Relation(s)
Cassine (CHEBI:3456) is a citraconoyl group (CHEBI:23315)
Synonym  Source
CassineKEGG COMPOUND
Manual XrefsDatabases
C10136KEGG COMPOUND
C00002027KNApSAcK
Registry NumbersSources
CAS:5227-24-7KEGG COMPOUND