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CHEBI:177374 - trans-Linalool oxide

ChEBI IDCHEBI:177374
ChEBI Nametrans-Linalool oxide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H18O2
Net Charge0
Average Mass170.252
Monoisotopic Mass170.13068
SMILES[H][C@@]1(C(C)(C)O)CC[C@@](C)(C=C)O1
InChIInChI=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
InChIKeyBRHDDEIRQPDPMG-WCBMZHEXSA-N
Species of MetaboliteComponentSourceComments
Vitis vinifera (ncbitaxon:29760) Wine (NCIT:C66822) MetaboLights (MTBLS2330)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
4937513ChemSpider
HMDB0040727HMDB
Registry NumbersSources
CAS:11063-78-8ChemIDplus