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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:46705 - (+)-geosmin
Main
ChEBI Ontology
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ChEBI Name
(+)-geosmin
ChEBI ID
CHEBI:46705
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
Formula
C12H22O
Net Charge
0
Average Mass
182.30248
Monoisotopic Mass
182.16707
InChI
InChI=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
InChIKey
JLPUXFOGCDVKGO-GRYCIOLGSA-N
SMILES
C[C@@H]1CCC[C@]2(C)CCCC[C@@]12O
ChEBI Ontology
Outgoing
(+)-geosmin (
CHEBI:46705
)
is a
geosmin (
CHEBI:46703
)
(+)-geosmin (
CHEBI:46705
)
is enantiomer of
(−)-geosmin (
CHEBI:46702
)
Incoming
(−)-geosmin (
CHEBI:46702
)
is enantiomer of
(+)-geosmin (
CHEBI:46705
)
IUPAC Name
(4
R
,4a
R
,8a
S
)-4,8a-dimethyloctahydronaphthalen-4a(2
H
)-ol
Registry Numbers
Types
Sources
2204573
Beilstein Registry Number
Beilstein
4656416
Beilstein Registry Number
Beilstein
Last Modified
07 October 2007