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CHEBI:46702 - (−)-geosmin

ChEBI IDCHEBI:46702
ChEBI Name(−)-geosmin
Stars
ASCII Name(-)-geosmin
DefinitionThe (−)-stereoisomer of geosmin, having 4S,4aS,8aR configuration.
Last Modified28 July 2014
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-/m0/s1
InChIKeyJLPUXFOGCDVKGO-TUAOUCFPSA-N
ChEBI Ontology
Outgoing Relation(s)
(−)-geosmin (CHEBI:46702) is a geosmin (CHEBI:46703)
(−)-geosmin (CHEBI:46702) is enantiomer of (+)-geosmin (CHEBI:46705)
Incoming Relation(s)
(+)-geosmin (CHEBI:46705) is enantiomer of (−)-geosmin (CHEBI:46702)
IUPAC Name 
(4S,4aS,8aR)-4,8a-dimethyloctahydronaphthalen-4a(2H)-ol
Synonyms  Source
(4S-(4α,4aα,8aβ))-octahydro-4,8a-dimethyl-4a(2H)-naphtholChemIDplus
octahydro-4α,8aβ-dimethyl-4aα(2H)-naphtholChemIDplus
GeosminChemIDplus
trans-1,10-dimethyl-trans-decalolChEBI
trans-1,10-Dimethyl-trans-9-decalolKEGG COMPOUND
(-)-GeosminKEGG COMPOUND
UniProt Name  Source
(−)-geosminUniProt
Manual XrefsDatabases
C00013224KNApSAcK
C16286KEGG COMPOUND
Registry NumbersSources
Beilstein:4656415Beilstein
Beilstein:2410491Beilstein
CAS:19700-21-1ChemIDplus
CAS:19700-21-1KEGG COMPOUND
Citations