CHEBI:67258 - 2,3-epoxygerianial

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,3-epoxygerianial
ChEBI ID CHEBI:67258
Definition An epoxide resulting from the formal epoxidation of the double bond between positions 2 and 3 of geranial.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anonymous
Supplier Information
Download Molfile XML SDF
Formula C10H16O2
Net Charge 0
Average Mass 168.23280
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
InChIKey KXDDDNKGVUBFQS-UHFFFAOYSA-N
SMILES CC(C)=CCCC1(C)OC1C=O
ChEBI Ontology
Outgoing 2,3-epoxygerianial (CHEBI:67258) has functional parent geranial (CHEBI:16980)
2,3-epoxygerianial (CHEBI:67258) is a aldehyde (CHEBI:17478)
2,3-epoxygerianial (CHEBI:67258) is a epoxide (CHEBI:32955)
IUPAC Name
3-methyl-3-(4-methylpent-3-en-1-yl)oxirane-2-carbaldehyde
Synonym Source
2,3-epoxy-gerianial ChEBI
Registry Number Type Source
1342443 Reaxys Registry Number Reaxys
Last Modified
05 September 2012