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CHEBI:46705 - (+)-geosmin

Default Structure
ChEBI IDCHEBI:46705
ChEBI Name(+)-geosmin
Stars
Last Modified7 October 2007
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC12H22O
Net Charge0
Average Mass182.307
Monoisotopic Mass182.16707
SMILESC[C@@H]1CCC[C@]2(C)CCCC[C@@]12O
InChIInChI=1S/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11+,12-/m1/s1
InChIKeyJLPUXFOGCDVKGO-GRYCIOLGSA-N
ChEBI Ontology
Outgoing Relation(s)
(+)-geosmin (CHEBI:46705) is a geosmin (CHEBI:46703)
(+)-geosmin (CHEBI:46705) is enantiomer of (−)-geosmin (CHEBI:46702)
Incoming Relation(s)
(−)-geosmin (CHEBI:46702) is enantiomer of (+)-geosmin (CHEBI:46705)
IUPAC Name 
(4R,4aR,8aS)-4,8a-dimethyloctahydronaphthalen-4a(2H)-ol
Registry NumbersSources
Beilstein:2204573Beilstein
Beilstein:4656416Beilstein