EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:174196 - (2Z,4'Z)-2-(5-Methylthio-4-penten-2-ynylidene)-1,6-dioxaspiro[4.4]non-3-ene

ChEBI IDCHEBI:174196
ChEBI Name(2Z,4'Z)-2-(5-Methylthio-4-penten-2-ynylidene)-1,6-dioxaspiro[4.4]non-3-ene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14O2S
Net Charge0
Average Mass234.320
Monoisotopic Mass234.07145
SMILESCS/C=C\C#C/C=C1\C=CC2(CCCO2)O1
InChIInChI=1S/C13H14O2S/c1-16-11-4-2-3-6-12-7-9-13(15-12)8-5-10-14-13/h4,6-7,9,11H,5,8,10H2,1H3/b11-4-,12-6+
InChIKeySOSDBVUESBQTDG-QFQHGIJPSA-N
ChEBI Ontology
Outgoing Relation(s)
(2Z,4'Z)-2-(5-Methylthio-4-penten-2-ynylidene)-1,6-dioxaspiro[4.4]non-3-ene (CHEBI:174196) is a ketal (CHEBI:59777)
IUPAC Name 
(2E)-2-[(Z)-5-methylsulanylpent-4-en-2-ynylidene]-1,6-dioxaspiro[4.4]non-3-ene
Manual XrefsDatabases
10275812ChemSpider
HMDB0032660HMDB