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CHEBI:3695 - Cicutoxin

ChEBI IDCHEBI:3695
ChEBI NameCicutoxin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC17H22O2
Net Charge0
Average Mass258.361
Monoisotopic Mass258.16198
SMILESCCC[C@@H](O)/C=C/C=C/C=C/C#CC#CCCCO
InChIInChI=1S/C17H22O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10,12,15,17-19H,2,11,13-14,16H2,1H3/b6-4+,10-8+,15-12+/t17-/m1/s1
InChIKeyFQVNSJQTSOVRKZ-JNRDBWBESA-N
ChEBI Ontology
Outgoing Relation(s)
Cicutoxin (CHEBI:3695) is a long-chain fatty alcohol (CHEBI:17135)
Synonym  Source
CicutoxinKEGG COMPOUND
Manual XrefsDatabases
C08402KEGG COMPOUND
C00001277KNApSAcK
Registry NumbersSources
CAS:505-75-9KEGG COMPOUND