CHEBI:80708 - (E)-Ajoene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (E)-Ajoene
ChEBI ID CHEBI:80708
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C9H14OS3
Net Charge 0
Average Mass 234.40200
Monoisotopic Mass 234.02068
InChI InChI=1S/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5+
InChIKey IXELFRRANAOWSF-FNORWQNLSA-N
SMILES C=CCSS\C=C\CS(=O)CC=C
ChEBI Ontology
Outgoing (E)-Ajoene (CHEBI:80708) is a sulfoxide (CHEBI:22063)
Manual Xref Database
C16758 KEGG COMPOUND
View more database links
Registry Number Type Source
92284-99-6 CAS Registry Number KEGG COMPOUND