EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:180228 - (+)-cis-Linalool 3,7-oxide

ChEBI IDCHEBI:180228
ChEBI Name(+)-cis-Linalool 3,7-oxide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H18O2
Net Charge0
Average Mass170.252
Monoisotopic Mass170.13068
SMILESC=C[C@@]1(C)CC[C@@H](O)C(C)(C)O1
InChIInChI=1S/C10H18O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3/t8-,10+/m1/s1
InChIKeyBCTBAGTXFYWYMW-SCZZXKLOSA-N
ChEBI Ontology
Outgoing Relation(s)
(+)-cis-Linalool 3,7-oxide (CHEBI:180228) is a oxanes (CHEBI:46942)
IUPAC Name 
(3R,6R)-6-ethenyl-2,2,6-trimethyloxan-3-ol
Manual XrefsDatabases
4933976ChemSpider
HMDB0041630HMDB
Registry NumbersSources
CAS:24048-52-0ChemIDplus