2R3R-epoxyneral (CHEBI:195829)

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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	2R3R-epoxyneral

ChEBI ID	CHEBI:195829

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H16O2

Net Charge

Average Mass

168.236

Monoisotopic Mass

168.11503

InChI

InChI=1S/C10H16O2/c1-8(2)5-4-6-10(3)9(7-11)12-10/h5,7,9H,4,6H2,1-3H3/t9-,10+/m0/s1

InChIKey

KXDDDNKGVUBFQS-VHSXEESVSA-N

SMILES

O1[C@@]([C@@H]1C=O)(CCC=C(C)C)C

ChEBI Ontology
Outgoing	2R3R-epoxyneral (CHEBI:195829) is a epoxide (CHEBI:32955)

IUPAC Name

(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxirane-2-carbaldehyde