beta-selinene
naphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-, (4aS,7S,8aR)-
 
Notes:
Isolated from aerial parts of Ligusticum chuanxiong. Constit. of celery oil. Also from Cyperus rotundus (nutgrass) and Humulus lupulus (hops)
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(3S,4aR,8aS)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene (Click)
CAS Number: 17066-67-0Picture of molecule
Nikkaji Web: J1.974.515E
Beilstein Number: 4970262
XlogP3-AA: 5.40 (est)
Molecular Weight: 204.35628000
Formula: C15 H24
NMR Predictor: Predict (works with chrome or firefox)
Category: natural substances and extractives
 
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Physical Properties:
Assay: 94.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 260.00 to  263.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.017000 mm/Hg @ 25.00 °C. (est)
Flash Point: 216.00 °F. TCC ( 102.22 °C. )
logP (o/w): 6.327 (est)
Soluble in:
 alcohol
 water, 0.04293 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Strength: medium
Odor Description:
at 100.00 %. 
herbal
  
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Cosmetic Information:
None found
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Suppliers:
 None found
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Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: natural substances and extractives
Recommendation for beta-selinene usage levels up to:
 not for fragrance use.
 
Recommendation for beta-selinene flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 28237
National Institute of Allergy and Infectious Diseases: Data
 (3S,4aR,8aS)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene
Chemidplus: 0017066670
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References:
 (3S,4aR,8aS)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 28237
Pubchem (sid): 134992886
Flavornet: 17066-67-0
Pherobase: View
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
CHEBI: View
KEGG (GenomeNet): C09723
HMDB (The Human Metabolome Database): HMDB34997
FooDB: FDB013601
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
RSC Learn Chemistry: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
 artichoke 
 celeryFL/FR
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Occurrence (nature, food, other): note
 ajowan seed oil turkey @ trace%
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 allspice plant
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 angelica seed oil CO2 extract @ 3.50%
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 anise star anise fruit
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 anise star anise seed
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 baccharis coridifolia oil argentina @ 8.20%
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 basil flower oil sweet @ 2.51%
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 basil leaf oil sweet (ocimum basilicum) @ 0.54%
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 basil plant
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 bay laurel leaf
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 bay leaf oil @ 0.00-0.33%
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 cajuput oil @ 0.9%
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 cajuput oil vietnam @ 1.5%
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 callitris columellaris wood oil australia @ 0.90%
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 callitris glaucophylla wood oil australia @ 0.30%
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 callitris intratropica wood oil australia @ 2.20%
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 carrot seed
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 carrot seed oil @ 0.23%
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 carrot seed oil spain @ 0.25-1.99%
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 cascarilla bark oil @ 0.58%
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 cassia plant
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 cassinia laevis flower oil australia @ 2.20%
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 cassinia laevis leaf oil australia @ 3.50%
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 cedarwood oil atlanta @ 0.80%
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 cedarwood oil china @ 0.20%
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 cedarwood oil virginia @ 0.10%
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 celery leaf oil
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 celery leaf oil @ 3.70%
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 celery oil
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 celery seed
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 celery seed oil
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 celery seed oil CO2 extract india @ 17.59%
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 celery seed oil egypt @ 8.10%
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 celery seed oil india @ 20.76%
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 celery stem oil
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 chamomile flower oil germany @ trace%
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 chamomile garden chamomile plant
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 chamomile oil morocco @ 0.30%
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 cinnamon ceylon cinnamon leaf
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 cinnamon ceylon cinnamon leaf oil
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 cinnamon ceylon cinnamon plant
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 cinnamon ceylon cinnamon stem bark
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 clove bud
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 clove fruit
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 curcuma amada roxb. rhizome oil india @ 0.60%
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 curry wood leaf oil australia @ 0.40%
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 cypress cone oil egypt @ trace%
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 erigeron graveolens l. oil iran @ 1.60%
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 eucalyptus globulus oil @ 0.19%
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 eucalyptus globulus pseudoglobulus oil @ 0.28%
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 geranium rose-scented oil (pelargonium spp.) cuba @ 0.30%
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 ginger rhizome oil
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 ginger root oil CO2 extract @ trace%
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 guava fruit
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 kachur oil @ 1.00%
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 laurel leaf oil turkey @ 0.30%
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 lemon balm shoot
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 lime oil CO2 extract mexico @ 3.15%
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 lime oil distilled mexico @ 0.01%
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 lovage root
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 lovage root oil @ 5.92%
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 mandarin oil italy @ trace%
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 manuka var. eximium oil australia @ 0.30%
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 manuka var. scoparium oil new zealand @ 3.67%
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 mikan peel oil @ trace%
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 parsley leaf
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 pepper black pepper fruit
Search Trop  Picture
 pepper black pepper fruit oil
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 pepper oil black india @ 0.10%
Data  GC  Search Trop  Picture
 petitgrain grapefruit oil @ 1.20%
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 petitgrain lime oil @ 0.10%
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 phoebe oil brazil @ 1.15%
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 pimento berry oil @ trace%
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 pimento berry oil CO2 extract jamaica @ trace%
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 polyalthia australis (benth.) jessup leaf oil australia @ 1.50%
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 prangos uloptera dc. oil iran @ 1.70%
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 protium heptaphyllum (aubl.) march leaf oil brazil @ 2.50%
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 ravintsara leaf oil @ 0.09%%
Data  GC  Search  Picture
 rose oil otto bulgaria @ 0.53%
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 safflower flower
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 safflower leaf
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 sage oil reunion @ trace%
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 savin oil @ 0.41%
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 sugandha kokila berry oil @ 1.00%
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 sundacarpus amarus (blume) c.n. page leaf oil australia @ 67.70%
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 zanthoxylum nitidum l. leaf oil australia @ 3.80%
Data  GC  Search Trop  Picture
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Synonyms:
(4aR- (4aalpha,7alpha, 8abeta))-decahydro-4a-methyl-1-methylene-7-(1-methyl ethenyl) naphthalene
 eudesma-4(14),11-diene
beta-eudesmene
(4aS,7S,8aR)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalene
(4aS,7S,8aR)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalene; (5β,7a,10a)-eudesma-4(14),11-diene
(3S,4aR,8aS)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene
 naphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-, (4aS,7S,8aR)-
(propenyl-4a-methyl-1-methylenedecahydronaphthalene
 selina-4(14),11-diene
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Articles:
PubMed: Chemical compositions and antimicrobial activity of the essential oils of Hornstedtia havilandii (Zingiberaceae).
PubMed: Essential-oil polymorphism in the 'resurrection plant' Myrothamnus moschatus and associated ethnobotanical knowledge.
PubMed: Chemical composition and anti-Trypanosoma cruzi activity of essential oils obtained from leaves of Xylopia frutescens and X. laevigata (Annonaceae).
PubMed: Analysis of the essential oil of Dipsacus japonicus flowering aerial parts and its insecticidal activity against Sitophilus zeamais and Tribolium castaneum.
PubMed: Phytochemical diversity of Murraya koenigii (L.) Spreng. from Western Himalaya.
PubMed: Essential oils from five species of Annonaceae from Vietnam.
PubMed: Chemical compositions, antioxidant and antimicrobial activity of the essential oils of Piper officinarum (Piperaceae).
PubMed: Chemical constituents and antibacterial property of the essential oil of the roots of Cyathocline purpurea.
PubMed: Chemotaxonomical markers in essential oil of Murraya koenigii.
PubMed: Chemical composition, antimicrobial, antioxidant and cytotoxic activity of essential oils of Plectranthus cylindraceus and Meriandra benghalensis from Yemen.
PubMed: Variation in the volatile constituents of different plant parts of Ligusticopsis wallichiana from western Himalaya, India.
PubMed: Chemical composition and biological activities of the essential oils from Duguetia lanceolata St. Hil. barks.
PubMed: GC-MS profiling of the phytochemical constituents of the oleoresin from Copaifera langsdorffii Desf. and a preliminary in vivo evaluation of its antipsoriatic effect.
PubMed: Chemical constituents and antioxidant and biological activities of the essential oil from leaves of Solanum spirale.
PubMed: Constituents of south Indian vetiver oils.
PubMed: In vitro biological activities of the essential oil from the 'resurrection plant' Myrothamnus moschatus (Baillon) Niedenzu endemic to Madagascar.
PubMed: Composition and antimicrobial activity of the leaf and twig oils of Litsea acutivena from Taiwan.
PubMed: Influence of various growth parameters on fungal growth and volatile metabolite production by indoor molds.
PubMed: Modulation of volatile organic compound formation in the Mycodiesel-producing endophyte Hypoxylon sp. CI-4.
PubMed: Helichrysum gymnocephalum essential oil: chemical composition and cytotoxic, antimalarial and antioxidant activities, attribution of the activity origin by correlations.
PubMed: Diterpenes from the Hainan soft coral Lobophytum cristatum Tixier-Durivault.
PubMed: Chemical identification and ethological function of soldier-specific secretion in Japanese subterranean termite Reticulitermes speratus (Rhinotermitidae).
PubMed: [Analysis of the chemical constituents of essential oil from Anaphalis aureopunctata by GC-MS].
PubMed: The compositions of volatiles and aroma-active compounds in dried omija fruits (Schisandra chinensis Baillon) according to the cultivation areas.
PubMed: Insecticidal compounds from the essential oil of Chinese medicinal herb Atractylodes chinensis.
PubMed: Chemical composition and antioxidant activity of the essential oil of aerial parts of Petasites albus from Iran: a good natural source of euparin.
PubMed: Chemical constituents and larvicidal activity of Hymenaea courbaril fruit peel.
PubMed: Composition and antimicrobial activity of the leaf and twig oils of Litsea mushaensis and L. linii from Taiwan.
PubMed: Composition of essential oils in subterranean organs of three species of Valeriana L.
PubMed: GC-MS analysis of headspace and liquid extracts for metabolomic differentiation of citrus Huanglongbing and zinc deficiency in leaves of 'Valencia' sweet orange from commercial groves.
PubMed: Essential oil composition and variability of Hypericum perforatum from wild populations of northern Turkey.
PubMed: Chemical composition and larvicidal activity of the essential oil of Plectranthus amboinicus (Lour.) Spreng against Anopheles stephensi: a malarial vector mosquito.
PubMed: Chemistry and antioxidant activity of essential oil and oleoresins of black caraway (Carum bulbocastanum) fruits: Part 69.
PubMed: Volatiles of Callicarpa macrophylla: a rich source of selinene isomers.
PubMed: Different isolation methods for determination of composition of volatiles from Nigella damascena L. seeds.
PubMed: Brominated selinane sesquiterpenes from the marine brown alga Dictyopteris divaricata.
PubMed: Essential oil composition from two species of Piperaceae family grown in Colombia.
PubMed: Eugenol and methyl eugenol chemotypes of essential oil of species Ocimum gratissimum L. and Ocimum campechianum Mill. from Colombia.
PubMed: Antiatherogenic activity of Dendropanax morbifera essential oil in rats.
PubMed: Chemical composition of the essential oils of Cyperus rotundus L. from South Africa.
PubMed: Chemical composition of the essential oils of the flowers, leaves and stems of two senecio polyanthemoides Sch. Bip. samples from South Africa.
PubMed: Comparative analysis of essential oils from eight herbal medicines with pungent flavor and cool nature by GC-MS and chemometric resolution methods.
PubMed: [Characterization of chemical components of essential oil from flowers of Chrysanthemum morifolium produced in Anhui province].
PubMed: Celery-based topical repellents as a potential natural alternative for personal protection against mosquitoes.
PubMed: Essential Oil Composition and Antibacterial Studies of Vitex negundo Linn. Extracts.
PubMed: Antimicrobial Activities of Essential Oil and Methanol Extract of Teucrium montanum.
PubMed: Biotransformation of terpenoids by mammals, microorganisms, and plant-cultured cells.
PubMed: Optimization and comparison of three methods for extraction of volatile compounds from Cyperus rotundus evaluated by gas chromatography-mass spectrometry.
PubMed: Composition of the essential oil of Helichrysum chasmolycicum growing wild in Turkey.
PubMed: Antioxidant and biocidal activities of Carum nigrum (seed) essential oil, oleoresin, and their selected components.
PubMed: Anxiolytic-like actions of the hexane extract from leaves of Annona cherimolia in two anxiety paradigms: possible involvement of the GABA/benzodiazepine receptor complex.
PubMed: Effect of magnesium on essential oil formation of genetically transformed and non-transformed chamomile cultures.
PubMed: Dual role for phenylalanine 178 during catalysis by aristolochene synthase.
PubMed: Composition and antimicrobial activity of the essential oils from invasive species of the Azores, Hedychium gardnerianum and Pittosporum undulatum.
PubMed: Evidence for differential folding of farnesyl pyrophosphate in the active site of aristolochene synthase: a single-point mutation converts aristolochene synthase into an (E)-beta-farnesene synthase.
PubMed: Interspecific variation in terpenoid composition of defensive secretions of European Reticulitermes termites.
PubMed: Essential oil from fruit of Peucedanum tauricum Bieb.
PubMed: Antibacterial and antioxidant activities of Artemisia annua essential oil.
PubMed: Advantages of soxflo extractions for phytochemical analysis and bioassay screening. 1. Terpenoids.
PubMed: Characterization of volatiles in Costa Rican guava [Psidium friedrichsthalianum (Berg) Niedenzu] fruit.
PubMed: Germacrene A is a product of the aristolochene synthase-mediated conversion of farnesylpyrophosphate to aristolochene.
PubMed: Modulation of radioligand binding to the GABA(A)-benzodiazepine receptor complex by a new component from Cyperus rotundus.
PubMed: Bioactive compounds and 1,3-Di[(cis)-9-octadecenoyl]-2-[(cis,cis)-9, 12-octadecadienoyl]glycerol from Apium graveolens L. seeds.
PubMed: Composition and antimicrobial activity of the essential oil of Cistus creticus subsp. eriocephalus.
PubMed: Diversity in cyclic sesquiterpene production by Gossypium hirsutum.
PubMed: Sesquiterpenes in the frontal gland secretions of nasute soldier termites from New Guinea.
PubMed: [Studies on the chemical components of essential oil from the aerial parts of Ligusticum chuanxiong Hort].
PubMed: Antimalarial compounds containing an alpha,beta-unsaturated carbonyl moiety from Tanzanian medicinal plants.
PubMed: Chemical constituents and inhibitory activities of essential oils fromCyperus brevifolius andC. kyllingia.
PubMed: The essential oil of Apium graveolens var. secalinum and its cercaricidal activity.
PubMed: Larval osmeterial secretions of the swallowtails (Papilio).
PubMed: [Sesquiterpene hydrocarbons from grapes (author's transl)].
PubMed: Studies leading to the stereoselective total synthesis of dl-beta-eudesmol, dl-beta-selinene, dl-costol, and related naturally occurring sesquiterpenes.
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