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(Q104253259)
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English
(1R,4R,5S)-thujan-3-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(+)-beta-Thujone
1 reference
based on heuristic
inferred from SMILES
mass
152.120115132
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
β-thujone
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
cis-thujone
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(-)-isothujone
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(−)-α-thujone
1 reference
based on heuristic
inferred from InChI
(+)-alpha-thujone
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₀H₁₆O
0 references
canonical SMILES
O=C1CC2(CC2C1C)C(C)C
0 references
isomeric SMILES
CC(C)[C@]12CC(=O)[C@H](C)[C@@H]1C2
0 references
found in taxon
Tanacetum vulgare
1 reference
stated in
Chemotypes of tansy in Finland
Xylopia sericea
1 reference
stated in
Essential Oil of Xylopia sericea. A Comparative Analysis
Litchi chinensis
1 reference
stated in
Volatile constituents of litchi (Litchi chinesis Sonn.)
Thuja occidentalis
1 reference
stated in
Mono- and Diterpenes from Cell Cultures of Thuja occidentalis
Salvia officinalis
1 reference
stated in
Dalmatian Sage. Part 1. Differing Oil Yields and Compositions from Flowering and Non-Flowering Accessions
Artemisia tridentata
1 reference
stated in
Terpenes in the essential oil of sagebrush (Artemisia tridentata)
Croton eluteria
1 reference
stated in
The constituents of cascarilla oil (croton eluteria bennett)
liquorice
1 reference
stated in
Volatile flavor components of licorice
Rhanterium epapposum
1 reference
stated in
Volatile components ofRhanterium epapposum oliv
Santolina chamaecyparissus
1 reference
stated in
Chemical Composition of Santolina chamaeyparissus ssp. squarrosa Essential Oil
Sassafras albidum
1 reference
stated in
Chemical composition of essential oil from the root bark of Sassafras albidum
Thuja plicata
1 reference
stated in
Chemosystematic study of Thuja plicata: Multivariate analysis of leaf oil terpene composition
Artemisia herba-alba
2 references
stated in
The Antibacterial and Antispasmodic Activity ofArtemisia herba albaAsso. II. Examination of Essential Oils from Various Chemotypes
stated in
The constitution of essential oils from Artemisia herba alba populations of Israel and Sinai
Rosmarinus officinalis
1 reference
stated in
Antioxidant Properties of Rosemary Oleoresin in Turkey Sausage
Identifiers
InChI
InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8+,10+/m1/s1
0 references
InChIKey
USMNOWBWPHYOEA-WEDXCCLWSA-N
0 references
PubChem CID
12304613
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
44210017
1 reference
stated in
UniChem
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