2S,5R-chalcogran (CHEBI:195754)

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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	2S,5R-chalcogran

ChEBI ID	CHEBI:195754

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H16O2

Net Charge

Average Mass

156.225

Monoisotopic Mass

156.11503

InChI

InChI=1S/C9H16O2/c1-2-8-4-6-9(11-8)5-3-7-10-9/h8H,2-7H2,1H3/t8-,9+/m1/s1

InChIKey

DCWKALWZHORJAO-BDAKNGLRSA-N

SMILES

O1[C@]2(OCCC2)CC[C@H]1CC

ChEBI Ontology
Outgoing	2S,5R-chalcogran (CHEBI:195754) is a ketal (CHEBI:59777)

IUPAC Name

(2R,5S)-2-ethyl-1,6-dioxaspiro[4.4]nonane