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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:61987 - 2-methylisoborneol
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ChEBI Ontology
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ChEBI Name
2-methylisoborneol
ChEBI ID
CHEBI:61987
Definition
An bornane monoterpenoid comprising isoborneol carrying a 2-methyl substituent (the 1
R
,2
R
,4
R
-diastereomer).
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
Molfile
Formula
C11H20O
Net Charge
0
Average Mass
168.27590
Monoisotopic Mass
168.15142
InChI
InChI=1S/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3/t8-,10-,11-/m1/s1
InChIKey
LFYXNXGVLGKVCJ-FBIMIBRVSA-N
SMILES
CC1(C)[C@@H]2CC[C@@]1(C)[C@](C)(O)C2
ChEBI Ontology
Outgoing
2-methylisoborneol (
CHEBI:61987
)
is a
bornane monoterpenoid (
CHEBI:22912
)
2-methylisoborneol (
CHEBI:61987
)
is a
bridged compound (
CHEBI:35990
)
IUPAC Name
(1
R
,2
R
,4
R
)-1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol
Synonyms
Sources
(1
R
-
exo
)-1,2,7,7-tetramethylbicyclo(2.2.1)heptan-2-ol
ChEBI
2-methylisoborneol
UniProt
exo-1,2,7,7-tetramethylbicyclo(2.2.1)heptan-2-ol
ChemIDplus
MIB
ChEBI
Registry Numbers
Types
Sources
2371-42-8
CAS Registry Number
NIST Chemistry WebBook
2371-42-8
CAS Registry Number
ChemIDplus
2552192
Reaxys Registry Number
Reaxys
Citations
Types
Sources
10441633
PubMed citation
Europe PMC
16084557
PubMed citation
Europe PMC
16347753
PubMed citation
Europe PMC
17304845
PubMed citation
Europe PMC
17899580
PubMed citation
Europe PMC
18492804
PubMed citation
Europe PMC
18563898
PubMed citation
Europe PMC
20050547
PubMed citation
Europe PMC
20473805
PubMed citation
Europe PMC
21174459
PubMed citation
Europe PMC
21339960
PubMed citation
Europe PMC
Last Modified
22 March 2012