CHEBI:3695 - Cicutoxin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Cicutoxin
ChEBI ID CHEBI:3695
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C17H22O2
Net Charge 0
Average Mass 258.356
Monoisotopic Mass 258.162
InChI InChI=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
InChIKey FQVNSJQTSOVRKZ-JNRDBWBESA-N
SMILES CCC[C@@H](O)\C=C\C=C\C=C\C#CC#CCCCO
ChEBI Ontology
Outgoing Cicutoxin (CHEBI:3695) is a long-chain fatty alcohol (CHEBI:17135)
Synonym Source
Cicutoxin KEGG COMPOUND
Manual Xrefs Databases
C00001277 KNApSAcK
C08402 KEGG COMPOUND
View more database links
Registry Number Type Source
505-75-9 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014