CHEBI:177374 - trans-Linalool oxide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 trans-Linalool oxide
ChEBI ID CHEBI:177374
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H18O2
Net Charge 0
Average Mass 170.252
Monoisotopic Mass 170.13068
InChI InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3/t8-,10+/m0/s1
InChIKey BRHDDEIRQPDPMG-WCBMZHEXSA-N
SMILES O1[C@@](CC[C@@]1(C)C=C)(C(O)(C)C)[H]
Metabolite of Species Details
Vitis vinifera (NCBI:txid29760) Found in Wine (NCIT:C66822). See: MetaboLights Study
ChEBI Ontology
Outgoing trans-Linalool oxide (CHEBI:177374) is a oxolanes (CHEBI:26912)
IUPAC Name
2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol
Manual Xrefs Databases
4937513 ChemSpider
HMDB0040727 HMDB
View more database links
Registry Number Type Source
11063-78-8 CAS Registry Number ChemIDplus