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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:16271 - 2-
exo
-hydroxy-1,8-cineole
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ChEBI Ontology
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ChEBI Name
2-
exo
-hydroxy-1,8-cineole
ChEBI ID
CHEBI:16271
ChEBI ASCII Name
2-exo-hydroxy-1,8-cineole
Definition
A cineole in which the 1,8-cineole skeleton is substituted at C-2 with a hydroxy group oriented
exo
(
S
configuration).
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
Secondary ChEBI IDs
CHEBI:64699, CHEBI:2239, CHEBI:20718, CHEBI:12200
Supplier Information
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Molfile
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Molfile
Formulae
C10H18O2
C10H18O2
Net Charge
0
Average Mass
170.24870
Monoisotopic Mass
170.13068
InChI
InChI=1S/C10H18O2/c1-9(2)7-4-5-10(3,12-9)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m0/s1
InChIKey
YVCUGZBVCHODNB-OYNCUSHFSA-N
SMILES
CC1(C)O[C@]2(C)CC[C@H]1C[C@@H]2O
Roles Classification
Biological Role
(s):
volatile oil component
Any plant metabolite that is found naturally as a component of a volatile oil.
(via
cineole
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2-
exo
-hydroxy-1,8-cineole (
CHEBI:16271
)
is a
cineole (
CHEBI:23243
)
IUPAC Name
(1
R
,4
S
,6
S
)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-ol
Synonyms
Sources
2-
exo
-hydroxy-1,8-cineole
UniProt
6-endo-Hydroxycineole
KEGG COMPOUND
Manual Xrefs
Databases
C03092
KEGG COMPOUND
LMPR0102090065
LIPID MAPS
View more database links
Registry Number
Type
Source
5727572
Beilstein Registry Number
Beilstein
Citations
Types
Sources
11159812
PubMed citation
Europe PMC
11695850
PubMed citation
SUBMITTER
Last Modified
04 August 2014