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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene

ChEBI ID	CHEBI:169717

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H12O2S

Net Charge

Average Mass

220.290

Monoisotopic Mass

220.05580

InChI

InChI=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+

InChIKey

LLZQYUSTIRVCPF-MDZDMXLPSA-N

SMILES

S1C(\C=C/2\OC3(OCCC3)C=C2)=CC=C1

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

ChEBI Ontology
Outgoing	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