Exact Mass: 204.1548
Exact Mass Matches: 204.1548
Found 500 metabolites which its exact mass value is equals to given mass value 204.1548,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Zingiberene
Zingiberene is 2-Methylcyclohexa-1,3-diene in which a hydrogen at the 5 position is substituted (R configuration) by a 6-methyl-hept-5-en-2-yl group (S configuration). It is a sesquiterpene found in the dried rhizomes of Indonesian ginger, Zingiber officinale. It is a sesquiterpene and a cyclohexadiene. It is an enantiomer of an ent-zingiberene. Zingiberene is a natural product found in Chaerophyllum azoricum, Helichrysum odoratissimum, and other organisms with data available. Constituent of ginger oiland is) also from wild thyme (Thymus serpyllum), long pepper (Piper longum) and kua (Curcuma zedoaria). Zingiberene is found in many foods, some of which are cloves, pepper (spice), ginger, and turmeric. Zingiberene is found in anise. Zingiberene is a constituent of ginger oil. Also from wild thyme (Thymus serpyllum), long pepper (Piper longum) and kua (Curcuma zedoaria)
alpha-Farnesene
alpha-Farnesene belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. (3E,6E)-alpha-Farnesene, also known as trans-alpha-Farnesene, is a sweet, bergamot, and citrus tasting flavouring ingredient. (3E,6E)-alpha-Farnesene is a constituent of the natural coating of apples and pears and other fruit. It has been identified in gingers, cottonseeds, common oregano, sweet oranges, spearmints, guava, pomes, and pears. This could make (3E,6E)-alpha-farnesene a potential biomarker for the consumption of these foods. Alpha-farnesene is a farnesene that is 1,3,6,10-tetraene substituted by methyl groups at positions 3, 7 and 11 respectively. alpha-Farnesene is a natural product found in Eupatorium cannabinum, Lonicera japonica, and other organisms with data available. See also: Chamomile (part of); Cannabis sativa subsp. indica top (part of). Constituent of the natural coating of apples and pears and other fruit. Flavouring ingredient. (3E,6E)-alpha-Farnesene is found in many foods, some of which are cottonseed, spearmint, ginger, and fruits.
Isocaryophyllene
Isocaryophyllene, also known as gamma-caryophyllene, belongs to the class of organic compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Isocaryophyllene can be found primarily in saliva. Isocaryophyllene is found in allspice, and is widespread in plants (Jasminum, Origanum, and Pimpinella species). Beta-caryophyllene is a pale yellow oily liquid with an odor midway between odor of cloves and turpentine. (NTP, 1992) Isocaryophyllene is a sesquiterpenoid. Isocaryophyllene is a natural product found in Aloysia gratissima, Vismia cayennensis, and other organisms with data available. See also: Caryophyllene (related). D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Valencene
(+)-valencene is a carbobicyclic compound and sesquiterpene that is 1,2,3,4,4a,5,6,7-octahydronaphthalene which is substituted a prop-1-en-2-yl group at position 3 and by methyl groups at positions 4a and 5 (the 3R,4aS,5R- diastereoisomer). It is a sesquiterpene, a carbobicyclic compound and a polycyclic olefin. Valencene is a natural product found in Xylopia sericea, Helichrysum odoratissimum, and other organisms with data available. Valencene is found in citrus. Valencene is a constituent of orange oil Valencene is a sesquiterpene isolated from Cyperus rotundus, possesses antiallergic, antimelanogenesis, anti-infammatory, and antioxidant activitivies. Valencene inhibits the exaggerated expression of Th2 chemokines and proinflammatory chemokines through blockade of the NF-κB pathway. Valencene is used to flavor foods and drinks[1][2][3].
alpha-Humulene
alpha-Humulene, also known as alpha-caryophyllene, belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Thus, alpha-humulene is considered to be an isoprenoid lipid molecule. alpha-Humulene is found in allspice. alpha-Humulene is a constituent of many essential oils including hops (Humulus lupulus) and cloves (Syzygium aromaticum). (1E,4E,8E)-alpha-humulene is the (1E,4E,8E)-isomer of alpha-humulene. Humulene is a natural product found in Nepeta nepetella, Teucrium montanum, and other organisms with data available. See also: Caryophyllene (related). α-Humulene is a main constituent of Tanacetum vulgare L. (Asteraceae) essential oil with anti-inflammation (IC50=15±2 μg/mL). α-Humulene inhibits COX-2 and iNOS expression[1]. α-Humulene is a main constituent of Tanacetum vulgare L. (Asteraceae) essential oil with anti-inflammation (IC50=15±2 μg/mL). α-Humulene inhibits COX-2 and iNOS expression[1].
trans-beta-Farnesene
Trans-beta-farnesene is a beta-farnesene in which the double bond at position 6-7 has E configuration. It is the major or sole alarm pheromone in most species of aphid. It has a role as an alarm pheromone and a metabolite. beta-Farnesene is a natural product found in Nepeta nepetella, Eupatorium capillifolium, and other organisms with data available. trans-beta-Farnesene, also known as (E)-β-Farnesene or (E)-7,11-Dimethyl-3-methylenedodeca-1,6,10-triene, is classified as a member of the Sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. trans-beta-Farnesene is a hydrocarbon lipid molecule. (E)-β-Farnesene (trans-β-Farnesene) is a volatile sesquiterpene hydrocarbon which can be found in Phlomis aurea Decne essential oil. (E)-β-Farnesene can be used as a feeding stimulant for the sand fly Lutzomyia longipalpis[1][2]. (E)-β-Farnesene (trans-β-Farnesene) is a volatile sesquiterpene hydrocarbon which can be found in Phlomis aurea Decne essential oil. (E)-β-Farnesene can be used as a feeding stimulant for the sand fly Lutzomyia longipalpis[1][2].
gamma-Cadinene
(-)-gamma-cadinene is a member of the cadinene family of sesquiterpenes in which the isopropyl group is cis to the hydrogen at the adjacent bridgehead carbon (the 1R,4aS,8aS enantiomer). It has a role as a metabolite. It is a cadinene, a member of octahydronaphthalenes and a gamma-cadinene. It is an enantiomer of a (+)-gamma-cadinene. (-)-gamma-Cadinene is a natural product found in Xylopia sericea, Chromolaena odorata, and other organisms with data available. A member of the cadinene family of sesquiterpenes in which the isopropyl group is cis to the hydrogen at the adjacent bridgehead carbon (the 1R,4aS,8aS enantiomer). gamma-Cadinene is found in allspice. gamma-Cadinene is a constituent of citronella oil.
Bufotenin
A hallucinogenic serotonin analog found in frog or toad skins, mushrooms, higher plants, and mammals, especially in the brains, plasma, and urine of schizophrenics. Bufotenin has been used as a tool in CNS studies and misused as a psychedelic. Bufotenin (5-OH-DMT), is a tryptamine related to the neurotransmitter serotonin. It is an alkaloid found in the skin of some species of toads; in mushrooms, higher plants, and mammals. Bufotenin is a chemical constituent in the venom and eggs of several species of toads belonging to the Bufo genus, but most notably in the Colorado River toad (Bufo alvarius) as it is the only toad species in which bufotenin is present in large enough quantities for a psychoactive effect. Extracts of toad venom, containing bufotenin and other bioactive compounds, have been used in some traditional medicines (probably derived from Bufo gargarizans), which has been used medicinally for centuries in China. Bufotenin is a constituent of the seeds of Anadenanthera colubrina and Anadenanthera peregrina trees. Anadenanthera seeds have been used as an ingredient in psychedelic snuff preparations by indigenous cultures of the Caribbean, Central and South America. D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens D009676 - Noxae > D011042 - Poisons > D014688 - Venoms
Ethambutol
An antitubercular agent that inhibits the transfer of mycolic acids into the cell wall of the tubercle bacillus. It may also inhibit the synthesis of spermidine in mycobacteria. The action is usually bactericidal, and the drug can penetrate human cell membranes to exert its lethal effect. (From Smith and Reynard, Textbook of Pharmacology, 1992, p863) J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04A - Drugs for treatment of tuberculosis D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent CONFIDENCE standard compound; EAWAG_UCHEM_ID 2782
Psilocin
Psilocin (4-OH-DMT), an aromatic compound, sometimes also spelled psilocine, psilocyn, or psilotsin, is a psychedelic mushroom alkaloid. It is found in most psychedelic mushrooms together with its phosphorylated counterpart psilocybin. Psilocin is a Schedule I drug under the Convention on Psychotropic Substances. The mind-altering effects of psilocin are highly variable and subjective, but resemble those caused by LSD and mescaline. The effects typically last anywhere from three to eight hours depending on certain variables (such as metabolism, food interaction); however the effects can seem to last much longer due to psilocins ability to distort the perception of time. Sulfur analogs are known with a benzothienyl replacement as well as 4-SH-DMT. N1-methylpsilocin is a functionally 5-HT2C receptor preferring agonists. 4-fluoro-N,N-dimethyltryptamine is known. O-Acetylpsilocin is an acetylized analog of psilocin, also known as 4-AcO-DMT. Additionally, substitution of a methyl group at the dimethylated nitrogen with an isopropyl or ethyl group yields 4-HO-MIPT (4-Hydroxy-N-Methyl-N-Isopropyltryptamine) and 4-HO-MET (4-Hydroxy-N-Methyl-N-Ethyltryptamine), respectively. D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens
Acetylcarnitine
Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID A143; [MS2] KO009087 KEIO_ID A143
alpha-Copaene
alpha-Copaene, also known as aglaiene, belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. alpha-Copaene is possibly neutral. alpha-Copaene is a spice and woody tasting compound that can be found in several food items such as lime, mandarin orange (clementine, tangerine), safflower, and summer savoury, which makes alpha-copaene a potential biomarker for the consumption of these food products. alpha-Copaene can be found in feces and saliva. Alpha-copaene, also known as copaene, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Alpha-copaene is a spice and woody tasting compound and can be found in a number of food items such as lime, mandarin orange (clementine, tangerine), safflower, and summer savory, which makes alpha-copaene a potential biomarker for the consumption of these food products. Alpha-copaene can be found primarily in feces and saliva. 8-Isopropyl-1,3-dimethyltricyclo(4.4.0.02,7)dec-3-ene is a natural product found in Pinus sylvestris var. hamata, Asarum gusk, and other organisms with data available.
alpha-Selinene
Occurs in celery oil and hop (Humulus lupulus) oil. alpha-Selinene is found in many foods, some of which are ginger, lovage, sweet bay, and allspice. alpha-Selinene is found in alcoholic beverages. alpha-Selinene occurs in celery oil and hop (Humulus lupulus) oi
Longifolene
Longifolene is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Longifolene is a sweet, fir needle, and medical tasting compound found in corn, mandarin orange (clementine, tangerine), rosemary, and star anise, which makes longifolene a potential biomarker for the consumption of these food products. Longifolene is the common (or trivial) chemical name of a naturally occurring, oily Liquid hydrocarbon found primarily in the high-boiling fraction of certain pine resins. The name is derived from that of a pine species from which the compound was isolated, Pinus longifolia (obsolete name for Pinus roxburghii Sarg.) Chemically, longifolene is a tricyclic sesquiterpene. This molecule is chiral, and the enantiomer commonly found in pines and other higher plants exhibits a positive optical rotation of +42.73¬∞. The other enantiomer (optical rotation ‚àí42.73¬∞) is found in small amounts in certain fungi and liverworts . Longifolene is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Longifolene is a sweet, fir needle, and medical tasting compound found in corn, mandarin orange (clementine, tangerine), rosemary, and star anise, which makes longifolene a potential biomarker for the consumption of these food products. Longifolene is the common (or trivial) chemical name of a naturally occurring, oily liquid hydrocarbon found primarily in the high-boiling fraction of certain pine resins. The name is derived from that of a pine species from which the compound was isolated, Pinus longifolia (obsolete name for Pinus roxburghii Sarg.) Chemically, longifolene is a tricyclic sesquiterpene. This molecule is chiral, and the enantiomer commonly found in pines and other higher plants exhibits a positive optical rotation of +42.73°. The other enantiomer (optical rotation −42.73°) is found in small amounts in certain fungi and liverworts . (+)-Longifolene is a sesquiterpenoid and a metabolite in rabbits. (+)-Longifolen is converted to primary, secondary or tertiary alcohols in rabbits, among which the primary alcohol is predominant[1]. (+)-Longifolene is a sesquiterpenoid and a metabolite in rabbits. (+)-Longifolen is converted to primary, secondary or tertiary alcohols in rabbits, among which the primary alcohol is predominant[1]. (+)-Longifolene is a sesquiterpenoid and a metabolite in rabbits. (+)-Longifolen is converted to primary, secondary or tertiary alcohols in rabbits, among which the primary alcohol is predominant[1].
beta-Cadinene
beta-Cadinene is found in common oregano. beta-Cadinene is a constituent of Pinus caribaea. Mixed cadinene isomers, with b-cadinene usually predominating, occur in several essential oils, especially ylang-ylang, citronella and cade oil from Juniper species Cadinene isomers are used as a flavouring agent and/or flavour modifier.
gamma-Humulene
Aristolochene
(+)-1(10),4-Cadinadiene
Constituent of the essential oils of ylang-ylang, citronella, cubebs, and sweetflag. (+)-1(10),4-Cadinadiene is found in many foods, some of which are common pea, asparagus, sweet potato, and dill. (+)-1(10),4-Cadinadiene is found in allspice. (+)-1(10),4-Cadinadiene is a constituent of the essential oils of ylang-ylang, citronella, cubebs, and sweetflag
beta-Caryophyllene
beta-Caryophyllene, also known as caryophyllene or (−)-β-caryophyllene, is a natural bicyclic sesquiterpene that is a constituent of many essential oils including that of Syzygium aromaticum (cloves), Cannabis sativa, rosemary, and hops. It is usually found as a mixture with isocaryophyllene (the cis double bond isomer) and α-humulene (obsolete name: α-caryophyllene), a ring-opened isomer. beta-Caryophyllene is notable for having both a cyclobutane ring and a trans-double bond in a nine-membered ring, both rarities in nature (Wikipedia). beta-Caryophyllene is a sweet and dry tasting compound that can be found in a number of food items such as allspice, fig, pot marjoram, and roman camomile, which makes beta-caryophyllene a potential biomarker for the consumption of these food products. beta-Caryophyllene can be found in feces and saliva. (-)-Caryophyllene. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=87-44-5 (retrieved 2024-08-07) (CAS RN: 87-44-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). β-Caryophyllene is a CB2 receptor agonist. β-Caryophyllene is a CB2 receptor agonist.
alpha-Cedrene
Alpha-cedrene, also known as (-)-α-cedrene or beta-cedrene, is a member of the class of compounds known as cedrane and isocedrane sesquiterpenoids. Cedrane and isocedrane sesquiterpenoids are sesquiternoids with a structure based on the cedrane or the isocedrane skeleton. Cedrane is a tricyclic molecules a 3,6,8,8-tetramethyl-1H-3a,7-methano-azulene moiety. Isocedrane is a rearranged cedrane arising from the migration of methyl group moved from the 6-position to the 4-position. Thus, alpha-cedrene is considered to be an isoprenoid lipid molecule. Alpha-cedrene is a sweet, cedar, and fresh tasting compound and can be found in a number of food items such as tarragon, peppermint, wild celery, and common sage, which makes alpha-cedrene a potential biomarker for the consumption of these food products. Alpha-cedrene can be found primarily in urine. alpha-Cedrene alpha-Cedrene is one of the two isomers of cedrene. Cedrene is a sesquiterpene found in the essential oil of cedar. There are two isomers of cedrene, (-)-alpha-cedrene and (+)-beta-cedrene, which differ in the position of a double bond (Wikipedia) (-)-Cedrene (α-cedrene) is a sesquiterpene constituent of cedarwood oils, with anti-leukemic, antimicrobial and anti-obesity activities[1]. (-)-Cedrene (α-cedrene) is a sesquiterpene constituent of cedarwood oils, with anti-leukemic, antimicrobial and anti-obesity activities[1]. (-)-Cedrene (α-cedrene) is a sesquiterpene constituent of cedarwood oils, with anti-leukemic, antimicrobial and anti-obesity activities[1]. (-)-Cedrene (α-cedrene) is a sesquiterpene constituent of cedarwood oils, with anti-leukemic, antimicrobial and anti-obesity activities[1].
alpha-Cubebene
alpha-Cubebene is found in cloves. alpha-Cubebene is a constituent of oil of cubeb pepper (Piper cubeba).
beta-Cubebene
Beta-cubebene, also known as (-)-B-cubebene, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Beta-cubebene is a citrus and fruity tasting compound and can be found in a number of food items such as sweet basil, roman camomile, pot marjoram, and sweet bay, which makes beta-cubebene a potential biomarker for the consumption of these food products. Beta-cubebene can be found primarily in saliva. Piper cubeba, cubeb or tailed pepper is a plant in genus Piper, cultivated for its fruit and essential oil. It is mostly grown in Java and Sumatra, hence sometimes called Java pepper. The fruits are gathered before they are ripe, and carefully dried. Commercial cubebs consist of the dried berries, similar in appearance to black pepper, but with stalks attached – the "tails" in "tailed pepper". The dried pericarp is wrinkled, and its color ranges from grayish brown to black. The seed is hard, white and oily. The odor of cubebs is described as agreeable and aromatic and the taste as pungent, acrid, slightly bitter and persistent. It has been described as tasting like allspice, or like a cross between allspice and black pepper . beta-Cubebene belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
Germacrene
Germacrene, also known as (e,e)-germacra-1(10),4,7(11)-triene, is a member of the class of compounds known as germacrane sesquiterpenoids. Germacrane sesquiterpenoids are sesquiterpenoids having the germacrane skeleton, with a structure characterized by a cyclodecane ring substituted with an isopropyl and two methyl groups. Thus, germacrene is considered to be an isoprenoid lipid molecule. Germacrene can be found in turmeric, which makes germacrene a potential biomarker for the consumption of this food product. Germacrenes are a class of volatile organic hydrocarbons, specifically, sesquiterpenes. Germacrenes are typically produced in a number of plant species for their antimicrobial and insecticidal properties, though they also play a role as insect pheromones. Two prominent molecules are germacrene A and germacrene D .
beta-Santalene
Epi-beta-santalene is found in cereals and cereal products. Epi-beta-santalene is a constituent of the famine food Santalum album (sandalwood). Epi-beta-santalene is a flavouring ingredient Constituent from oil of the famine food Santalum album (sandalwood). Flavouring ingredient. beta-Santalene is found in sweet basil and cereals and cereal products.
beta-Selinene
Constituent of celery oiland is) also from Cyperus rotundus (nutgrass) and Humulus lupulus (hops). beta-Selinene is found in many foods, some of which are safflower, star anise, chinese cinnamon, and allspice. beta-Selinene is found in alcoholic beverages. beta-Selinene is a constituent of celery oil. Also from Cyperus rotundus (nutgrass) and Humulus lupulus (hops)
Caulophylline
N-Methylcytisine (Caulophylline), a tricyclic quinolizidine alkaloid, exerts hypoglycaemic, analgesic and anti-inflammatory activities. N-methylcytisine is a selective ligand of nicotinic receptors of acetylcholine in the central nervous system and has a high affinity (Kd = 50 nM) to nicotinic acetylcholine receptors (nAChR) from squid optical ganglia[1][2]. N-Methylcytisine (Caulophylline), a tricyclic quinolizidine alkaloid, exerts hypoglycaemic, analgesic and anti-inflammatory activities. N-methylcytisine is a selective ligand of nicotinic receptors of acetylcholine in the central nervous system and has a high affinity (Kd = 50 nM) to nicotinic acetylcholine receptors (nAChR) from squid optical ganglia[1][2]. N-Methylcytisine (Caulophylline), a tricyclic quinolizidine alkaloid, exerts hypoglycaemic, analgesic and anti-inflammatory activities. N-methylcytisine is a selective ligand of nicotinic receptors of acetylcholine in the central nervous system and has a high affinity (Kd = 50 nM) to nicotinic acetylcholine receptors (nAChR) from squid optical ganglia[1][2].
amorpha-4,11-diene
Germacrene D
Germacrene d, also known as germacrene d, (s-(e,e))-isomer, is a member of the class of compounds known as germacrane sesquiterpenoids. Germacrane sesquiterpenoids are sesquiterpenoids having the germacrane skeleton, with a structure characterized by a cyclodecane ring substituted with an isopropyl and two methyl groups. Germacrene d can be found in a number of food items such as peppermint, roman camomile, hyssop, and common walnut, which makes germacrene d a potential biomarker for the consumption of these food products.
beta-Bisabolene
S-beta-Bisabolene is found in anise. S-beta-Bisabolene is a constituent of the essential oils of bergamot, lemon and wild carrot
Flavouring ingredient used singly or as mixed isomers. Component of FEMA 3331. See also 2,7,10-Bisabolatriene
beta-Sesquiphellandrene
Constituent of the oil of ginger (Zingiber officinale). beta-Sesquiphellandrene is found in many foods, some of which are turmeric, parsley, rosemary, and tea. beta-Sesquiphellandrene is found in common oregano. beta-Sesquiphellandrene is a constituent of the oil of ginger (Zingiber officinale)
(Z)-2,6,10-Bisabolatriene
alpha-Cadinene
Constituent of Humulus lupulus (hops). alpha-Cadinene is found in many foods, some of which are dill, alcoholic beverages, hyssop, and sweet bay. alpha-Cadinene is found in alcoholic beverages. alpha-Cadinene is a constituent of Humulus lupulus (hops).
alpha-Bergamotene
Constituent of oils of carrot (Daucus carota), bergamot (Citrus bergamia), also lime (Citrus aurantifolia), citron (Citrus medica) and cottonseed oil (Gossypium hirsutum). alpha-Bergamotene is found in many foods, some of which are fats and oils, sweet basil, sweet orange, and lemon. alpha-Bergamotene is found in carrot. alpha-Bergamotene is a constituent of oils of carrot (Daucus carota), bergamot (Citrus bergamia), also lime (Citrus aurantifolia), citron (Citrus medica) and cottonseed oil (Gossypium hirsutum).
beta-Gurjunene
Beta-gurjunene is a member of the class of compounds known as 5,10-cycloaromadendrane sesquiterpenoids. 5,10-cycloaromadendrane sesquiterpenoids are aromadendrane sesquiterpenoids that arise from the C5-C10 cyclization of the aromadendrane skeleton. Beta-gurjunene can be found in rosemary and winter savory, which makes beta-gurjunene a potential biomarker for the consumption of these food products.
alpha-Cyperene
Isolated from Cyperus rotundus (nutgrass) and other plants. alpha-Cyperene is found in burdock and root vegetables. alpha-Cyperene is found in burdock. alpha-Cyperene is isolated from Cyperus rotundus (nutgrass) and other plant
Gurjunene-alpha
Alpha-Gurjunene or (-)-Alpha-Gurjunene, belongs to the class of organic compounds known as 5,10-cycloaromadendrane sesquiterpenoids. These are aromadendrane sesquiterpenoids that arise from the C5-C10 cyclization of the aromadendrane skeleton. It is formally classified as a polycyclic hydrocarbon although it is biochemically a sesquiterpenoid as it synthesized via isoprene units. Sesquiterpenes are terpenes that contain 15 carbon atoms and are comprised of three isoprene units. The biosynthesis of sesquiterpenes is known to occur mainly through the mevalonic acid pathway (MVA), in the cytosol. However, recent studies have found evidence of pathway crosstalk with the methyl-erythritol-phosphate (MEP) pathway in the cytosol. Farnesyl diphosphate (FPP) is a key intermediate in the biosynthesis of cyclic sesquiterpenes. FPP undergoes several cyclization reactions to yield a diverse number of cyclic arrangements. Alpha-Gurjunene is a neutral, hydrophobic molecule that is insoluble in water. It exists as a colorless clear Liquid and has a woody, balsamic odor. It is used as a perfuming agent. Alpha-gurjunene is found in many plants, essential oils and foods including allspice, bay leaf, carrot seeds, eucalyptus, guava, parsley, black papper, sage and tea tree oil.
alpha-Santalene
Constituent of sandalwood oil. Flavouring ingredient. alpha-Santalene is found in many foods, some of which are allspice, pepper (spice), giant butterbur, and sweet basil. alpha-Santalene is found in allspice. alpha-Santalene is a constituent of sandalwood oil. alpha-Santalene is a flavouring ingredient alpha-Santalene is a natural product found in Commiphora guidottii, Daphne genkwa, and other organisms with data available.
.delta.-Selinene
(-)-3,5-Cadinadiene
(-)-3,5-Cadinadiene is found in tea. (-)-3,5-Cadinadiene is a constituent of Leptospermum scoparium (red tea) Constituent of Leptospermum scoparium (red tea). (-)-3,5-Cadinadiene is found in tea.
1-Epi-bicyclosesquiphellandrene
Constituent of Ocimum basilicum (sweet basil). 1-Epi-bicyclosesquiphellandrene is found in sweet bay, sweet basil, and herbs and spices. Bicyclosesquiphellandrene is found in herbs and spices. Bicyclosesquiphellandrene is a constituent of Piper cubeba (cubeb pepper).
alpha-Guaiene
Constituent of guaiac wood oil (Bulnesia sarmienti). alpha-Guaiene is found in many foods, some of which are herbs and spices, sweet basil, burdock, and pepper (spice). alpha-Guaiene is found in burdock. alpha-Guaiene is a constituent of guaiac wood oil (Bulnesia sarmienti)
(+)-Ledene
(+)-Ledene belongs to the class of organic compounds known as 5,10-cycloaromadendrane sesquiterpenoids. These are aromadendrane sesquiterpenoids that arise from the C5-C10 cyclization of the aromadendrane skeleton.
alpha-Bulnesene
Constituent of guaiac wood oil (Bulnesia sarmienti). alpha-Bulnesene is found in many foods, some of which are pepper (spice), cottonseed, sweet basil, and herbs and spices. alpha-Bulnesene is found in cottonseed. alpha-Bulnesene is a constituent of guaiac wood oil (Bulnesia sarmienti).
Bicyclogermacrene
Constituent of the peel oil of Citrus junos (yuzu). Bicyclogermacrene is found in many foods, some of which are common oregano, lemon balm, hyssop, and orange mint. Bicyclogermacrene is found in citrus. Bicyclogermacrene is a constituent of the peel oil of Citrus junos (yuzu).
Sesquithujene
Isolated from Zingiber officinale (ginger). Sesquithujene is found in sweet basil, herbs and spices, and ginger. Sesquithujene is found in ginger. Sesquithujene is isolated from Zingiber officinale (ginger).
gamma-Curcumene
A sesquiterpene that is cyclohexa-1,3-diene which is substituted by a methyl group at position 1 and a 6-methylhept-5-en-2-yl group at position 4 (the R enantiomer).
beta-Copaene
Beta-copaene, also known as beta-copaene, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Beta-copaene can be found in a number of food items such as peppermint, common sage, corn, and star anise, which makes beta-copaene a potential biomarker for the consumption of these food products. Copaene, or more precisely, alpha-copaene, is the common (or trivial) chemical name of an oily Liquid hydrocarbon that is found in a number of essential oil-producing plants. The name is derived from that of the resin-producing tropical copaiba tree, Copaifera langsdorfii, from which the compound was first isolated in 1914. Its structure, including the chirality, was determined in 1963. The double-bond isomer with an exocyclic-methylene group, beta-copaene, was first reported in 1967 . Beta-copaene, also known as β-copaene, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Beta-copaene can be found in a number of food items such as peppermint, common sage, corn, and star anise, which makes beta-copaene a potential biomarker for the consumption of these food products. Copaene, or more precisely, α-copaene, is the common (or trivial) chemical name of an oily liquid hydrocarbon that is found in a number of essential oil-producing plants. The name is derived from that of the resin-producing tropical copaiba tree, Copaifera langsdorfii, from which the compound was first isolated in 1914. Its structure, including the chirality, was determined in 1963. The double-bond isomer with an exocyclic-methylene group, β-copaene, was first reported in 1967 .
Delta(6)-protoilludene
A tricyclic sesquiterpene that is 2,4,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]indene bearing four methyl substituents at positions 3, 6, 6 and 7b.
Valerena-4,7(11)-diene
A bicyclic sesquiterpene that is 2,4,5,6,7,7a-hexahydro-1H-indene substituted at positions 3 and 7 by methyl groups and at position 4 by a 3,3-dimethylallyl group (the 4S,7R,7aR-stereoisomer).
(2S,3R,6S,9S)-(-)-protoillud-7-ene
(3S)-(+)-asterisca-2(9),6-diene
guaia-4,6-diene
A bicyclic sesquiterpene that is 1,2,6,7,8,8a-hexahydroazulene carrying an isopropyl substituent at position 5 as well as two methyl substituents at positions 5 and 8.
gamma-Selinene
Constituent of essential oil of hops (Humulus lupulus). gamma-Selinene is found in many foods, some of which are ginger, alcoholic beverages, wild celery, and lime. gamma-Selinene is found in alcoholic beverages. gamma-Selinene is a constituent of essential oil of hops (Humulus lupulus).
(E)-gamma-Bisabolene
Epimuurolene
Gamma-cadinene, also known as D-G-cadinene or gamma-cadinene, (+)-isomer, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Gamma-cadinene is a wood tasting compound and can be found in a number of food items such as hyssop, lemon balm, sweet orange, and common sage, which makes gamma-cadinene a potential biomarker for the consumption of these food products. Gamma-cadinene can be found primarily in saliva. Chemically, the cadinenes are bicyclic sesquiterpenes. The term cadinene has sometimes also been used in a broad sense to refer to any sesquiterpene with the so-called cadalane (4-isopropyl-1,6-dimethyldecahydronaphthalene) carbon skeleton. Because of the large number of known double-bond and stereochemical isomers, this class of compounds has been subdivided into four subclasses based on the relative stereochemistry at the isopropyl group and the two bridgehead carbon atoms. The name cadinene is now properly used only for the first subclass below, which includes the compounds originally isolated from cade oil. Only one enantiomer of each subclass is depicted, with the understanding that the other enantiomer bears the same subclass name .
β-Caryophyllene
A sesquiterpene with a [7.2.0]-bicyclic structure comprising fused 9- and 4-membered rings, with a cis-ring junction, a methylidene group at position 9, and methyl groups at positions 3, 11, and 11. D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Constituent of clove, cinnamon, mint, eucalyptus, thyme, lemon balm and many other oils. The main source is the clove tree Eugenia caryophyllata. Flavouring agent. beta-Caryophyllene is found in many foods, some of which are hyssop, red bell pepper, pot marjoram, and caraway. β-Caryophyllene is a CB2 receptor agonist. β-Caryophyllene is a CB2 receptor agonist.
(E)-alpha-Bisabolene
epi-aristolochene
alpha-Selinene
An isomer of selinene where the double bond in the octahydronaphthalene ring system is endocyclic (2R,4aR,8aR)-configuration..
(-)-delta-Cadinene
A member of the cadinene family of sesquiterpenes in which the double bonds are located at the 4-4a and 7-8 positions, and in which the isopropyl group at position 1 is cis to the hydrogen at the adjacent bridgehead carbon (the 1R,8aS-enantiomer).
alpha-Muurolene
(+)-alpha-muurolene is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units (+)-alpha-muurolene can be found primarily in saliva. Within the cell, (+)-alpha-muurolene is primarily located in the membrane (predicted from logP).
alpha-Cadinene
A cadinene sesquiterpene that consists of 1-(propan-2-yl)-1,2,4a,5,6,8a-hexahydronaphthalene having two methyl substituents at positions 1 and 4 (the 1S,4aS,8aS-configuration). A member of the cadinene family of sesquiterpenes having a 4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,6,8a-hexahydronaphthalene skeleton with 1S,4aR,8aS-stereochemistry. It is isolated from the essential oils of several plant species.
(+)-beta-Caryophyllene
A beta-caryophyllene in which the stereocentre adjacent to the exocyclic double bond has R configuration while the remaining stereocentre has S configuration. It is the enantiomer of (-)-beta-caryophyllene, which occurs much more widely than the (+)-form.
5-Epi-alpha-selinene
An isomer of selinene where the double bond in the octahydronaphthalene ring system is endocyclic with (2R,4aR,8aS)-configuration. It has been isolated from termites.
1-methyl-4-[(1R)-1,2,2-trimethylcyclopentyl]cyclohexa-1,3-diene
beta-Bisabolene
A bisabolene that is cyclohexene substituted by a methyl group at position 1 and a 6-methylhepta-1,5-dien-2-yl group at position 4.
1,3,5-TRIISOPROPYLBENZENE
1,3,5-Triisopropylbenzene acts as a fuel and fuel additive. 1,3,5-Triisopropylbenzene is also used in lubricants and lubricant additives. 1,3,5-Triisopropylbenzene is used as a micelle expander[1].
beta-Guaiene
beta-Guaiene is found in herbs and spices. beta-Guaiene is a flavouring ingredient. beta-Guaiene is a constituent of sweet flag oil. Flavouring ingredient. Constituent of sweet flag oil. beta-Guaiene is found in lemon balm, herbs and spices, and root vegetables.
gamma-Muurolene
gamma-Muurolene is found in carrot. gamma-Muurolene is a constituent of Pinus sylvestris (Scotch pine).
beta-Bourbonene
beta-Bourbonene is found in cloves. beta-Bourbonene is a flavouring agent.
delta-Amorphene
1(10),4-Cadinadiene is a cadinene (FDB009046) of the delta-serie [FooDB]. A cadinene (FDB009046) of the delta-serie [FooDB]
beta-Farnesene
A mixture with 1,3,6,10-Farnesatetraene
Germacrene B
Constituent of the peel oil of yuzu Citrus junos. Germacrene B is found in many foods, some of which are pepper (spice), lime, citrus, and common oregano. Germacrene B is found in citrus. Germacrene B is a constituent of the peel oil of yuzu Citrus junos.
(+)-alpha-Muurolene
(+)-alpha-Muurolene is isolated from various plant oils including Pinus mugo (dwarf mountain pine). Isolated from various plant oils including Pinus mugo (dwarf mountain pine)
1-Epi-alpha-gurjunene
1-Epi-alpha-gurjunene is a constituent of Tolu balsam (Myroxylon balsamum var. balsamum). 1-Epi-alpha-gurjunene is a food flavouring. Constituent of Tolu balsam (Myroxylon balsamum variety balsamum). Food flavouring
beta-Patchoulene
beta-Patchoulene is found in herbs and spices. beta-Patchoulene is a constituent of guaiac wood oil (Bulnesia sarmienti). Constituent of guaiac wood oil (Bulnesia sarmienti). beta-Patchoulene is found in herbs and spices.
gamma-Himachalene
Constituent of the essential oil of anise (aniseed). gamma-Himachalene is found in fats and oils, herbs and spices, and anise. gamma-Himachalene is found in anise. gamma-Himachalene is a constituent of the essential oil of anise (aniseed).
(4alpha,10alpha)-1(5),6-Guaiadiene
(4beta,10alpha)-1(5),6-Guaiadiene is a constituent of Tolu balsam (Myroxylon balsamum var. balsamum). (4beta,10alpha)-1(5),6-Guaiadiene is a food flavouring. Constituent of Tolu balsam (Myroxylon balsamum variety balsamum). Food flavouring
(-)-Tamariscene
Constituent of Valeriana officinalis (valerian). (-)-Tamariscene is found in tea, fats and oils, and herbs and spices. (-)-Tamariscene is found in fats and oils. (-)-Tamariscene is a constituent of Valeriana officinalis (valerian).
Sesquisabinene
Constituent of Piper nigrum (pepper). Sesquisabinene is found in herbs and spices and pepper (spice). Sesquisabinene is found in herbs and spices. Sesquisabinene is a constituent of Piper nigrum (pepper)
(-)-Aromadendrene
Constituent of essential oils of Eucalyptus globulus (Tasmanian blue gum). Alloaromadendrene is found in many foods, some of which are sweet marjoram, common sage, safflower, and spearmint. Alloaromadendrene is found in allspice. Alloaromadendrene is a constituent of essential oils of Eucalyptus globulus (Tasmanian blue gum).
alpha-Alaskene
alpha-Alaskene belongs to the family of Sesquiterpenes. These are terpenes with three consecutive isoprene units
(-)-1(6),10-Pacifigorgiadiene
(-)-1(6),10-Pacifigorgiadiene is found in fats and oils. (-)-1(6),10-Pacifigorgiadiene is a constituent of Valeriana officinalis (valerian). Constituent of Valeriana officinalis (valerian). (-)-1(6),10-Pacifigorgiadiene is found in tea, fats and oils, and herbs and spices.
beta-Neoclovene
beta-Neoclovene is found in tea. beta-Neoclovene is a constituent of ginseng. beta-Neoclovene is a flavouring ingredient. Constituent of ginseng. Flavouring ingredient. beta-Neoclovene is found in tea.
epsilon-Muurolene
epsilon-Cadinene is found in fruits. epsilon-Cadinene is a constituent of Juniperus communis (juniper). Constituent of ylang-ylang oil
3,7(11)-Eudesmadiene
Constituent of essential oil of hops (Humulus lupulus). 3,7(11)-Eudesmadiene is found in alcoholic beverages, fats and oils, and ginger. 3,7(11)-Eudesmadiene is found in alcoholic beverages. 3,7(11)-Eudesmadiene is a constituent of essential oil of hops (Humulus lupulus).
omega-Cadinene
omega-Cadinene is found in herbs and spices. omega-Cadinene is a constituent of Mentha piperita. Constituent of Mentha piperita. omega-Cadinene is found in herbs and spices.
beta-Panasinsene
beta-Panasinsene is found in tea. beta-Panasinsene is isolated from ginseng oil. Isolated from ginseng oil. beta-Panasinsene is found in tea.
2,7,10-Bisabolatriene
(S,Z)-2,7,10-Bisabolatriene is found in herbs and spices. (S,Z)-2,7,10-Bisabolatriene is a constituent of oil of Opoponax Constituent of oil of Opoponax. (S,Z)-2,7,10-Bisabolatriene is found in herbs and spices.
(1S,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol
(1S*,2R*,4R*,8S*)-p-Menthane-1,2,8,9-tetrol is found in fats and oils. (1S*,2R*,4R*,8S*)-p-Menthane-1,2,8,9-tetrol is a constituent of fruit of Carum carvi (caraway).
Aristolene
Constituent of calarene from sweet flag oil. Aristolene is found in herbs and spices and root vegetables. Aristolene is found in herbs and spices. Aristolene is a constituent of calarene from sweet flag oil
Daucene
Constituent of Daucus carota (carrot). Daucene is found in many foods, some of which are carrot, cumin, root vegetables, and wild carrot. Daucene is found in carrot. Daucene is a constituent of Daucus carota (carrot)
Cycloseychellene
Cycloseychellene is found in herbs and spices. Cycloseychellene is a constituent of Pogostemon cablin (patchouli).
3,7-Dimethyl-3-octene-1,2,6,7-tetrol
3,7-Dimethyl-3-octene-1,2,6,7-tetrol is found in fruits. 3,7-Dimethyl-3-octene-1,2,6,7-tetrol is a constituent of Passiflora quadrangularis (giant grandilla) Constituent of Passiflora quadrangularis (giant grandilla). 3,7-Dimethyl-3-octene-1,2,6,7-tetrol is found in fruits.
beta-Bulnesene
beta-Bulnesene is found in herbs and spices. beta-Bulnesene is a constituent of guaiac wood oil (Bulnesia sarmienti). Constituent of guaiac wood oil (Bulnesia sarmienti). beta-Bulnesene is found in herbs and spices.
(2xi,3xi,6E)-3,7-Dimethyl-6-octene-1,2,3,8-tetrol
(2xi,3xi,6E)-3,7-Dimethyl-6-octene-1,2,3,8-tetrol is found in herbs and spices. (2xi,3xi,6E)-3,7-Dimethyl-6-octene-1,2,3,8-tetrol is a constituent of Foeniculum vulgare (fennel). Constituent of Foeniculum vulgare (fennel). (2xi,3xi,6E)-3,7-Dimethyl-6-octene-1,2,3,8-tetrol is found in herbs and spices.
gamma1-Cadinene
gamma1-Cadinene is found in fats and oils. gamma1-Cadinene is a constituent of citronella oil (Cymbopogon nardus). gamma1-Cadinene is a mixture of cadinene isomers from various essential oils is used as a flavouring agent/flavour modifier. Constituent of citronella oil (Cymbopogon nardus). A mixture of cadinene isomers from various essential oils is used as a flavouring agent/flavour modifier. gamma1-Cadinene is found in fats and oils and herbs and spices.
(6R,7S)-6,7-Epoxy-1,3-tetradecadiyne
(6R,7S)-6,7-Epoxy-1,3-tetradecadiyne is found in tea. (6R,7S)-6,7-Epoxy-1,3-tetradecadiyne is a constituent of Panax quinquefolium (American ginseng)
(2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol
(2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol is found in herbs and spices. (2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol is a constituent of Foeniculum vulgare (fennel). Constituent of Foeniculum vulgare (fennel). (2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol is found in herbs and spices.
(1alpha,2alpha,4betaH,6alpha,8R)-p-Menthane-2,6,8,9-tetrol
(1alpha,2alpha,4betaH,6alpha,8R)-p-Menthane-2,6,8,9-tetrol is found in herbs and spices. (1alpha,2alpha,4betaH,6alpha,8R)-p-Menthane-2,6,8,9-tetrol is a constituent of fruit of Carum carvi (caraway). Constituent of fruit of Carum carvi (caraway). (1alpha,2alpha,4betaH,6alpha,8R)-p-Menthane-2,6,8,9-tetrol is found in herbs and spices.
2-Benzylidene-1-heptanol
2-Benzylidene-1-heptanol is a flavouring ingredien Flavouring ingredient
3-Benzyl-4-heptanone
3-Benzyl-4-heptanone is used in food flavouring (plum/peach). It is used in food flavouring (plum/peach)
Nebracetam
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs C26170 - Protective Agent > C1509 - Neuroprotective Agent
(+)-gamma-Hydroxy-L-homoarginine
(+)-gamma-hydroxy-l-homoarginine is a member of the class of compounds known as L-alpha-amino acids. L-alpha-amino acids are alpha amino acids which have the L-configuration of the alpha-carbon atom (+)-gamma-hydroxy-l-homoarginine is soluble (in water) and a moderately acidic compound (based on its pKa). (+)-gamma-hydroxy-l-homoarginine can be found in common pea and lentils, which makes (+)-gamma-hydroxy-l-homoarginine a potential biomarker for the consumption of these food products.
Caulophyllin
N-Methylcytisine is a natural product found in Thermopsis lanceolata, Sophora chrysophylla, and other organisms with data available. N-Methylcytisine (Caulophylline), a tricyclic quinolizidine alkaloid, exerts hypoglycaemic, analgesic and anti-inflammatory activities. N-methylcytisine is a selective ligand of nicotinic receptors of acetylcholine in the central nervous system and has a high affinity (Kd = 50 nM) to nicotinic acetylcholine receptors (nAChR) from squid optical ganglia[1][2]. N-Methylcytisine (Caulophylline), a tricyclic quinolizidine alkaloid, exerts hypoglycaemic, analgesic and anti-inflammatory activities. N-methylcytisine is a selective ligand of nicotinic receptors of acetylcholine in the central nervous system and has a high affinity (Kd = 50 nM) to nicotinic acetylcholine receptors (nAChR) from squid optical ganglia[1][2]. N-Methylcytisine (Caulophylline), a tricyclic quinolizidine alkaloid, exerts hypoglycaemic, analgesic and anti-inflammatory activities. N-methylcytisine is a selective ligand of nicotinic receptors of acetylcholine in the central nervous system and has a high affinity (Kd = 50 nM) to nicotinic acetylcholine receptors (nAChR) from squid optical ganglia[1][2].
(+)-Chamecynenol
5,6,7,8-Tetrahydro-5-isopropyl-3-methyl-2-naphthol
(E)-5-(2,3-dimethyl-3-nortricyclyl)pent-3-en-2-one|1,7-Dimethyl-7-(1-pent-2-en-4-onyl)nortricyclen
rel-(1R,2R,3R,4S,6S)-p-menthane-1,2,3,6-tetrol|rel-(1R,2S,3S,4S,5R)-2-methyl-5-(1-methylethyl)-cyclohexane-1,2,3,4-tetrol
(1S,2R,5S)-2,5-dihydroxymethyl-2-hydroxyethylcyclohexanol
(rel-1R,2R,3R,4S,5S)-4-isopropyl-1-methylcyclohexane-1,2,3,5-tetrol|rel-(1R,2R,3R,4S,5S)-p-menthane-1,2,3,5-tetrol
(E)-4-(3-octenyl)phenol|E-4-(3-octenyl)phenol|gibbilimbol D
(1S,9S)-11-methyl-7,11-diazatricyclo[7.3.1.0<2,7>]trideca-2,4-dien-6-one
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.084 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.090
1COOH-2But-A7EO1
Literature spectrum; CONFIDENCE Tentative identification: isomers possible (Level 3); Could be alkyl homologue of given structure; Digitised from figure: approximate intensities
Ethambutol
J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04A - Drugs for treatment of tuberculosis D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent CONFIDENCE standard compound; INTERNAL_ID 4; HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu) CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu); Flow Injection CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu) Flow Injection; CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu)
5-(1,2-dihydroxypropan-2-yl)-2-methylcyclohexane-1,3-diol
(r)-(-)-n-methyl-1-phenyl-2-(1-pyrrolidino)ethylamine
tert-butyl 3-(aminomethyl)-3-fluoroazetidine-1-carboxylate
Carbamic acid, [2-[(2-hydroxyethyl)amino]ethyl]-, 1,1-dimethylethyl ester (9CI)
3-[2-Methyl-4-(2-methyl-2-propanyl)phenyl]propanal
3-[3-Methyl-5-(2-methyl-2-propanyl)phenyl]propanal
3-[2-Methyl-5-(2-methyl-2-propanyl)phenyl]propanal
HEXAHYDRO-2-[(3-METHYL-4-PYRIDINYL)METHYL]-1H-AZEPINE
2-(1-BENZYLPYRROLIDIN-3-YL)ETHANAMINE HYDROCHLORIDE
1-(3-DIMETHYLAMINO-PROPYL)-5-OXO-PYRROLIDINE-3-CARBOXYLIC ACID
3-(4,5-DIMETHYL-1H-BENZIMIDAZOL-2-YL)-PROPAN-1-AMINE
(3S,4S)-tert-Butyl 3-amino-4-fluoropyrrolidine-1-carboxylate
(2S,5R)-1-Benzyl-2,5-dimethylpiperazine dihydrochloride
1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-7-amine
2-(3,4-DIHYDROISOQUINOLIN-2(1H)-YL)-2-METHYLPROPAN-1-AMINE
(3S,4R)-tert-Butyl 3-amino-4-fluoropyrrolidine-1-carboxylate
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propan-2-amine
1-(8-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
1-{3-[(METHYLAMINO)METHYL]BENZYL}PYRROLIDINE 90+N-METHYL-3-(PYRROLIDIN-1-YLMETHYL)BENZYLAMINE
4-Methylbenzeneboronic acid neopentyl glycol ester
Benzene,1-(1,1-dimethylethyl)-4-[(2-methyl-2-propen-1-yl)oxy]-
(1-BENZYL-3-TRIFLUOROMETHYL-PYRROLIDIN-3-YL)-METHANOL
5-Amino-3-cyclohexyl-1-methyl-1H-pyrazole-4-carbonitrile
4-TERT-BUTOCYCARBONYLAMINO CYCLOHEXANE CARBOXYLIC ACID METHYL ESTER
N-(2-ethyl-6-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
(R)-2-HYDROXYMETHYLMORPHOLINE-4-CARBOXYLICACIDTERT-BUTYLESTER
1-(4-methoxy-1h-indol-3-yl)-n,n-dimethylmethanamine
1-(6-amino-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)ethan-1-one
Cis-tert-butyl3-amino-4-fluoropyrrolidine-1-carboxylate
1,2-Cyclobutanedimethanol,3,3-diethoxy-,trans-(9CI)
4-PiperidinaMine, 3-Methyl-1-(phenylMethyl)-, trans- (9CI)
4-PiperidinaMine, 3-Methyl-1-(phenylMethyl)-, (3R,4S)
Ethanone,1-[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]-
3-(2,5-DIOXO-4-PHENYL-IMIDAZOLIDIN-4-YL)-PROPIONIC ACID
6-((dimethylamino)Methyl)-5,6,7,8-tetrahydronaphthalen-2-amine
1H-2-Benzopyran,3,4-dihydro-1,1,4,4,7-pentamethyl-(9CI)
N-[3-[methoxy(dimethyl)silyl]-2-methylpropyl]ethane-1,2-diamine
1-Propanaminium, 2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, inner salt
4,7,8-Trimethyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
(+)-gamma-Hydroxy-L-homoarginine
(+)-gamma-hydroxy-l-homoarginine is a member of the class of compounds known as L-alpha-amino acids. L-alpha-amino acids are alpha amino acids which have the L-configuration of the alpha-carbon atom (+)-gamma-hydroxy-l-homoarginine is soluble (in water) and a moderately acidic compound (based on its pKa). (+)-gamma-hydroxy-l-homoarginine can be found in common pea and lentils, which makes (+)-gamma-hydroxy-l-homoarginine a potential biomarker for the consumption of these food products.
[(2S)-2-acetyloxy-3-carboxypropyl]-trimethylazanium
(1S,9S)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
6-[(4-Aminobenzyl)amino]-2,3,4,5-tetrahydropyridinium
(3R)-3,10-dihydroxydecanoic acid
A dihydroxy monocarboxylic acid that is 10-hydroxydecanoic acid in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group.
[(1R,2aS,8bS)-2-methyl-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
[(1R,2aR,8bR)-2-methyl-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
[(1S,2aS,8bS)-2-methyl-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
(3R,9R)-3,9-dihydroxydecanoic acid
An (omega-1)-hydroxy fatty acid that is (9R)-9-hydroxydecanoic acid in which the 3-pro-R hydrogen is replaced by a hydroxy group.
[(2R)-3-carboxy-2-(2,2,2-trideuterioacetyl)oxypropyl]-trimethylazanium
(3R)-1-(5-aminopentylamino)-3,4-dihydroxybutan-2-one
1-Isobutyl-9-methylbicyclo(3.2.2)nona-3,6-dien-2-one
PSILOCIN
A tryptamine alkaloid that is N,N-dimethyltryptamine carrying an additional hydroxy substituent at position 4. A hallucinogenic alkaloid isolated in trace amounts from Psilocybe mushrooms (also known as Teonanacatl or "magic mushrooms"). D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens
bufotenin
A tertiary amine that consists of N,N-dimethyltryptamine bearing an additional hydroxy substituent at position 5. D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens D009676 - Noxae > D011042 - Poisons > D014688 - Venoms
(2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol
4-(1,2-dihydroxypropan-2-yl)-1-methylcyclohexane-1,2-diol
(1alpha,2alpha,4betaH,6alpha,8R)-p-Menthane-2,6,8,9-tetrol
Gly-Lys(1+)
A peptide cation obtained by deprotonation of the carboxy terminus and protonation of the side-chain amino group and the amino terminus of Gly-Lys; major species at pH 7.3.
Lys-Gly(1+)
A peptide cation obtained by deprotonation of the carboxy terminus and protonation of the side-chain amino group and the amino terminus of Lys-Gly; major species at pH 7.3.
Cipepofol
Cipepofol (Ciprofol), a novel 2,6-disubstituted phenol derivative, is a positive allosteric modulator and direct agonist of the GABAA receptor. Cipepofol can cause the central nerve inhibition and promote sleep based on the structural modification of Propofol (HY-B0649). Cipepofol can activate the sirtuin1 (Sirt1)/Nrf2 pathway. Cipepofol protects the heart against Isoproterenol (ISO; HY-B0468)-induced myocardial infarction by reducing cardiac oxidative stress, inflammatory response and cardiomyocyte apoptosis[1][2]. Cipepofol (Ciprofol), a novel 2,6-disubstituted phenol derivative, is a positive allosteric modulator and direct agonist of the GABAA receptor. Cipepofol can cause the central nerve inhibition and promote sleep based on the structural modification of Propofol (HY-B0649). Cipepofol can activate the sirtuin1 (Sirt1)/Nrf2 pathway. Cipepofol protects the heart against Isoproterenol (ISO; HY-B0468)-induced myocardial infarction by reducing cardiac oxidative stress, inflammatory response and cardiomyocyte apoptosis[1][2].
4a,8,8-trimethyl-1h,1ah,5h,6h,7h-cyclopropa[e]naphthalen-2-one
(1r,9r)-11-methyl-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-6-one
(1s,2s,3s,4r,5r)-4-isopropyl-1-methylcyclohexane-1,2,3,5-tetrol
5-methylidene-3-(propan-2-ylidene)-hexahydro-1h-naphthalen-2-one
(1r,2s,4r,8r)-p-menthane-1,2,8,9-tetrol
{"Ingredient_id": "HBIN003080","Ingredient_name": "(1r,2s,4r,8r)-p-menthane-1,2,8,9-tetrol","Alias": "NA","Ingredient_formula": "C10H20O4","Ingredient_Smile": "CC1(CCC(CC1O)C(C)(CO)O)O","Ingredient_weight": "204.26 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13725","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "92467558","DrugBank_id": "NA"}
(1s,2s,4r,8s)-p-menthane-1,2,8,9-tetrol
{"Ingredient_id": "HBIN003229","Ingredient_name": "(1s,2s,4r,8s)-p-menthane-1,2,8,9-tetrol","Alias": "NA","Ingredient_formula": "C10H20O4","Ingredient_Smile": "CC1(CCC(CC1O)C(C)(CO)O)O","Ingredient_weight": "204.26 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13728","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11074485","DrugBank_id": "NA"}
2,5-dimethyl-4-Methoxyphenanthrene
{"Ingredient_id": "HBIN004652","Ingredient_name": "2,5-dimethyl-4-Methoxyphenanthrene","Alias": "NA","Ingredient_formula": "C9H18NO4+","Ingredient_Smile": "CC(=O)OC(CC(=O)O)C[N+](C)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42556","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,7-dimethyloct-3(10)-ene-1,2,6,7-tetrol
{"Ingredient_id": "HBIN007809","Ingredient_name": "3,7-dimethyloct-3(10)-ene-1,2,6,7-tetrol","Alias": "NA","Ingredient_formula": "C10H20O4","Ingredient_Smile": "CC(C)(C(CCC(=C)C(CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15171","TCMID_id": "6386","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4βh-cis-p-menthane-2α,6α,8,9-tetrol
{"Ingredient_id": "HBIN010268","Ingredient_name": "4\u03b2h-cis-p-menthane-2\u03b1,6\u03b1,8,9-tetrol","Alias": "NA","Ingredient_formula": "C10H20O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13723","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
