3-Hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecane (CHEBI:168313)

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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	3-Hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecane

ChEBI ID	CHEBI:168313

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H20O3

Net Charge

Average Mass

200.278

Monoisotopic Mass

200.14124

InChI

InChI=1S/C11H20O3/c1-8-4-3-6-11(13-8)7-5-10(12)9(2)14-11/h8-10,12H,3-7H2,1-2H3

InChIKey

FHLZKMYUVAGRFB-UHFFFAOYSA-N

SMILES

O1C2(OC(CCC2)C)CCC(O)C1C

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	3-Hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecane (CHEBI:168313) is a ketal (CHEBI:59777)

IUPAC Name

2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-3-ol