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CHEBI:169717 - 2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene

ChEBI IDCHEBI:169717
ChEBI Name2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H12O2S
Net Charge0
Average Mass220.293
Monoisotopic Mass220.05580
SMILESC1=CC2(CCCO2)O/C1=C/c1cccs1
InChIInChI=1S/C12H12O2S/c1-3-11(15-8-1)9-10-4-6-12(14-10)5-2-7-13-12/h1,3-4,6,8-9H,2,5,7H2/b10-9+
InChIKeyLLZQYUSTIRVCPF-MDZDMXLPSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene (CHEBI:169717) is a ketal (CHEBI:59777)
IUPAC Name 
(2E)-2-(thiophen-2-ylmethylidene)-1,6-dioxaspiro[4.4]non-3-ene
Manual XrefsDatabases
35013789ChemSpider
HMDB0034857HMDB