Exact Mass: 220.16413633599998
Exact Mass Matches: 220.16413633599998
Found 500 metabolites which its exact mass value is equals to given mass value 220.16413633599998,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Caryophyllene alpha-oxide
Caryophyllene oxide is an epoxide. It has a role as a metabolite.
Caryophyllene oxide is a natural product found in Xylopia emarginata, Eupatorium altissimum, and other organisms with data available.
See also: Cannabis sativa subsp. indica top (part of).
Caryophyllene alpha-oxide is a minor produced of epoxidn. of
Prilocaine
Prilocaine is only found in individuals that have used or taken this drug. It is a local anesthetic that is similar pharmacologically to lidocaine. Currently, it is used most often for infiltration anesthesia in dentistry. (From AMA Drug Evaluations Annual, 1992, p165)Prilocaine acts on sodium channels on the neuronal cell membrane, limiting the spread of seizure activity and reducing seizure propagation. The antiarrhythmic actions are mediated through effects on sodium channels in Purkinje fibers. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local > N01BB - Amides D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent CONFIDENCE standard compound; EAWAG_UCHEM_ID 3141
4-Nonylphenol
Environmental pollutant arising from the degradation of nonionic surfactants in sewage Nonoxynol-9, one of the APEs, is used as a surfactant in cleaning and cosmetic products, and as a spermicide in contraceptives. Nonylphenol is an organic compound of the wider family of alkylphenols. It is a product of industrial synthesis formed during the alkylation process of phenols, particularly in the synthesis of polyethoxylate detergents. Because of their man-made origins, nonylphenols are classified as xenobiotics. In nonylphenols, a hydrocarbon chain of nine carbon atoms is attached to the phenol ring in either the ortho (2), meta (3), or para (4) position, with the most common ring isomers being ortho or para (e.g. figure 1 para-nonylphenol). Moreover, the alkyl chains can exist as either linear n-alkyl chains, or complex branched chains. Nonylphenol is commonly obtained as a mixture of isomers, and is thus usually found as a pale yellow liquid at room temperature with a freezing point of -10°C and a boiling point of 295-320°C. However, pure isomers of nonylphenol crystallize readily at room temperatures and for example, para-n-nonylphenol, forms white crystals at room temperature. Nonylphenol, and a related compound tert-octylphenol, were first detected as an air pollutant in New York City and New Jersey, probably due to its evaporation from the Hudson river and other smaller rivers in the region that routinely receive municipal wastewaters. It is possible that the atmosphere is a destructive sink for nonylphenol as it is probably reactive with atmospheric radicals and/or is photoactive. CONFIDENCE standard compound; INTERNAL_ID 880; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5555; ORIGINAL_PRECURSOR_SCAN_NO 5553 CONFIDENCE standard compound; INTERNAL_ID 880; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5572; ORIGINAL_PRECURSOR_SCAN_NO 5570 Environmental pollutant arising from the degradation of nonionic surfactants in sewage
2,6-Di-tert-butyl-4-methylphenol
2,6-Di-tert-butyl-4-methylphenol, also known as butylated hydroxytoluene or BHT, belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. BHT is a mild, camphor, and musty tasting compound. It has been detected, but not quantified, in soft-necked garlic. This could make BHT a potential biomarker for the consumption of this food. BHT is a synthetic phenolic antioxidant (SPA). SPAs are a family of chemicals used widely in foods, polymers, and cosmetics as radical trapping agents to slow down degradation due to oxidation. Given their widespread use, human exposure is unavoidable and there is public concern regarding environmental contamination by these chemicals. BHT was detected in human urine (PMID:31265952). Antioxidant, used in cosmetics, foods and pharmaceuticals D020011 - Protective Agents > D000975 - Antioxidants C26170 - Protective Agent > C275 - Antioxidant Same as: D02413 Butylated hydroxytoluene is an antioxidant widely used in foods and in food-related products[1]. Butylated hydroxytoluene is a Ferroptosis inhibitor[2].
2-trans,6-trans-Farnesal
Farnesal, also known as (2e,6e)-3,7,11-trimethyl-2,6,10-dodecatrienal or 2-trans,6-trans-farnesal, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Thus, farnesal is considered to be an isoprenoid lipid molecule. Farnesal is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Farnesal is a floral and minty tasting compound and can be found in a number of food items such as bamboo shoots, dandelion, italian sweet red pepper, and chicory roots, which makes farnesal a potential biomarker for the consumption of these food products. This compound belongs to the family of Sesquiterpenes. These are terpenes with three consecutive isoprene units.
alpha-Santal-10-en-12-ol
(7R,10Z)-alpha-Santal-10-en-12-ol is a constituent of sandalwood oil. (7R,10Z)-alpha-Santal-10-en-12-ol is a flavouring agent
beta-Santalol
beta-Santalol is found in ginger. beta-Santalol is a flavouring ingredient. beta-Santalol is a constituent of sandalwood oil (Santalum album). Flavouring ingredient. Constituent of sandalwood oil (Santalum album). beta-Santalol is found in ginger.
alpha-Cyperol
alpha-Cyperol is found in root vegetables. alpha-Cyperol is a constituent of Cyperus rotundus (nutgrass) Constituent of Cyperus rotundus (nutgrass). alpha-Cyperol is found in root vegetables.
Isocyperol
Isocyperol is found in root vegetables. Isocyperol is a constituent of Cyperus rotundus (nutgrass) Constituent of Cyperus rotundus (nutgrass). Isocyperol is found in root vegetables.
Nootkatol
Nootkatol (cis or trans) is known to produce during synthetic (+)-nootkatone production from (+)-valencene by oxidation. Nootkatol is also reported as a precursor in several enzymatic oxidation of (+)-valencene to (+)-nootkatone. Nootkatone is an important oxidised sesquiterpene used in flavour and fragrance industry. Natural (+)-nootkatone can be extracted from grapefruit.
(5S)-Albaflavenol
[(4S)-4-(5,5-dimethylcyclohex-1-en-1-yl)-cyclohex-1-en-1-yl]methanol
Spathulenol
Spathulenol is a tricyclic sesquiterpenoid that is 4-methylidenedecahydro-1H-cyclopropa[e]azulene carrying three methyl substituents at positions 1, 1 and 7 as well as a hydroxy substituent at position 7. It has a role as a volatile oil component, a plant metabolite, an anaesthetic and a vasodilator agent. It is a sesquiterpenoid, a carbotricyclic compound, a tertiary alcohol and an olefinic compound. Spathulenol is a natural product found in Xylopia aromatica, Xylopia emarginata, and other organisms with data available. See also: Chamomile (part of). A tricyclic sesquiterpenoid that is 4-methylidenedecahydro-1H-cyclopropa[e]azulene carrying three methyl substituents at positions 1, 1 and 7 as well as a hydroxy substituent at position 7. Spathulenol is found in alcoholic beverages. Spathulenol is a constituent of Salvia sclarea (clary sage).
2,6-Di-tert-butylbenzoquinone
Detected in tapwater as presumed oxidant of 2,6-Di-tert-butyl-4-methylphenol
(2R,6S,7S,10Z)-beta-Santala-3(15),10-dien-12-ol
Epi-beta-santalol is a flavouring ingredient. (2R,6S,7S,10Z)-beta-Santala-3(15),10-dien-12-ol is a constituent of Santalum album (sandalwood
Preisocalamendiol
Preisocalamendiol is found in herbs and spices. Preisocalamendiol is a constituent of Acorus calamus (sweet flag) Constituent of Acorus calamus (sweet flag). Preisocalamendiol is found in herbs and spices and root vegetables.
Humulenol I
Humulenol I is found in herbs and spices. Humulenol I is a constituent of Zingiber zerumbet (wild ginger). Constituent of Zingiber zerumbet (wild ginger). Humulenol I is found in herbs and spices.
Italicene ether
Italicene ether is found in herbs and spices. Italicene ether is a constituent of Helichrysum italicum (curry plant).
Epishyobunone
Constituent of the rhizome of Acorus calamus (sweet flag). Epishyobunone is found in herbs and spices and root vegetables. Shyobunone is found in herbs and spices. Shyobunone is a constituent of the rhizome of Acorus calamus (sweet flag)
Bisabolene oxide
Bisabolene oxide is found in fats and oils. Bisabolene oxide is a constituent of Gossypium hirsutum (cotton). Constituent of Gossypium hirsutum (cotton). Bisabolene oxide is found in fats and oils.
Acoragermacrone
Acoragermacrone is found in herbs and spices. Acoragermacrone is a constituent of Acorus calamus (sweet flag). Constituent of Acorus calamus (sweet flag). Acoragermacrone is found in herbs and spices and root vegetables.
1,5-Epoxy-4(14)-salvialene
1,5-Epoxy-4(14)-salvialene is found in herbs and spices. 1,5-Epoxy-4(14)-salvialene is a constituent of Clary sage oil (Salvia sclarea). Constituent of Clary sage oil (Salvia sclarea). 1,5-Epoxy-4(14)-salvialene is found in herbs and spices.
Isospathulenol
Constituent of Clary sage oil (Salvia sclarea). Isospathulenol is found in tea, alcoholic beverages, and herbs and spices. Isospathulenol is found in alcoholic beverages. Isospathulenol is a constituent of Clary sage oil (Salvia sclarea)
Calacone
Constituent of Acorus calamus (sweet flag). Calacone is found in herbs and spices and root vegetables. Calacone is found in herbs and spices. Calacone is a constituent of Acorus calamus (sweet flag).
beta-Betulenol
beta-Betulenol is found in herbs and spices. beta-Betulenol is a constituent of essential oil of peppermint (Mentha piperita) and palmarosa (Cymbopogon martini). Constituent of essential oil of peppermint (Mentha piperita) and palmarosa (Cymbopogon martini). beta-Betulenol is found in peppermint and herbs and spices.
13-Nor-6-eremophilene-8,11-dione
13-Nor-6-eremophilene-8,11-dione is found in green vegetables. 13-Nor-6-eremophilene-8,11-dione is a constituent of Petasites japonicus ssp. giganteus (Japanese butterbur). Constituent of Petasites japonicus sspecies giganteus (Japanese butterbur). 13-Nor-6-eremophilene-8,11-dione is found in green vegetables.
Isoacolamone
Constituent of the rhizomes of Acorus calamus (sweet flag). Isoacolamone is found in herbs and spices and root vegetables. Isoacolamone is found in herbs and spices. Isoacolamone is a constituent of the rhizomes of Acorus calamus (sweet flag)
Acorenone
Constituent of carrot (Daucus carota) and Acorus calamus (sweet flag). Acorenone is found in many foods, some of which are carrot, herbs and spices, wild carrot, and root vegetables. Acorenone is found in carrot. Acorenone is a constituent of carrot (Daucus carota) and Acorus calamus (sweet flag)
Cabreuva oxide D
Cabreuva oxide D belongs to the family of Sesquiterpenes. These are terpenes with three consecutive isoprene units
Humulenol II
Humulenol II is found in herbs and spices. Humulenol II is a constituent of Zingiber zerumbet (wild ginger). Constituent of Zingiber zerumbet (wild ginger). Humulenol II is found in herbs and spices.
(Z)-6-Tetradecene-1,3-diyne-5,8-diol
(Z)-6-Tetradecene-1,3-diyne-5,8-diol is found in garden tomato. (Z)-6-Tetradecene-1,3-diyne-5,8-diol is isolated from tomato plants. Isolated from tomato plants. (Z)-6-Tetradecene-1,3-diyne-5,8-diol is found in garden tomato.
Humuladienone
Humuladienone is found in alcoholic beverages. Humuladienone is a constituent of hops. Constituent of hops. Humuladienone is found in wild celery and alcoholic beverages.
(6Z,9Z,12Z)-6,9,12-Pentadecatrien-2-one
(6Z,9Z,12Z)-6,9,12-Pentadecatrien-2-one is found in fruits. (6Z,9Z,12Z)-6,9,12-Pentadecatrien-2-one is a constituent of the ripe berries of Lindera benzoin (spicebush). Constituent of the ripe berries of Lindera benzoin (spicebush). (6Z,9Z,12Z)-6,9,12-Pentadecatrien-2-one is found in tea, herbs and spices, and fruits.
7(14)-Isodaucen-10-one
7(14)-Isodaucen-10-one is found in herbs and spices. 7(14)-Isodaucen-10-one is a constituent of Clary sage oil (Salvia sclarea). Constituent of Clary sage oil (Salvia sclarea). 7(14)-Isodaucen-10-one is found in herbs and spices.
Eremofukinone
Constituent of rhizomes of wild Petasites japonicus (sweet coltsfoot). Eremofukinone is found in giant butterbur and green vegetables. Eremofukinone is found in giant butterbur. Eremofukinone is a constituent of rhizomes of wild Petasites japonicus (sweet coltsfoot).
Fukinone
Constituent of Petasites japonicus (sweet coltsfoot). Fukinone is found in burdock, giant butterbur, and green vegetables. Fukinone is found in burdock. Fukinone is a constituent of Petasites japonicus (sweet coltsfoot)
4(15)-Copaen-11-ol
4(15)-Copaen-11-ol is found in herbs and spices. 4(15)-Copaen-11-ol is a constituent of Ocimum americanum (wild basil). Constituent of Ocimum americanum (wild basil). 4(15)-Copaen-11-ol is found in herbs and spices.
3,15-Epoxy-6-caryophyllene
3,15-Epoxy-6-caryophyllene is found in herbs and spices. 3,15-Epoxy-6-caryophyllene is a constituent of clary sage oil (Salvia sclarea). Constituent of clary sage oil (Salvia sclarea). 3,15-Epoxy-6-caryophyllene is found in herbs and spices.
Acolamone
Constituent of Acorus calamus (sweet flag). Acolamone is found in herbs and spices and root vegetables. Acolamone is found in herbs and spices. Acolamone is a constituent of Acorus calamus (sweet flag)
alpha-Bergamotenol
alpha-Bergamotenol is found in cereals and cereal products. alpha-Bergamotenol is a constituent of the famine food Santalum album (sandalwood). alpha-Bergamotenol is a flavouring ingredient. Constituent of the famine food Santalum album (sandalwood). Flavouring ingredient. alpha-Bergamotenol is found in cereals and cereal products.
Aromadendrene epoxide
Aromadendrene epoxide is found in alcoholic beverages. Aromadendrene epoxide is a constituent of hops. Constituent of hops. Aromadendrene epoxide is found in alcoholic beverages.
beta-Costol
beta-Costol is found in herbs and spices. beta-Costol is a constituent of the essential oil of costus ( Saussurea lappa) Constituent of the essential oil of costus ( Saussurea lappa). beta-Costol is found in herbs and spices.
Epoxyguaiene
Epoxyguaiene is found in root vegetables. Epoxyguaiene is a constituent of the essential oil of Cyperus rotundus (nutgrass) Constituent of the essential oil of Cyperus rotundus (nutgrass). Epoxyguaiene is found in root vegetables.
alpha-Valerenol
Found as the free alcohol and as esters in Valeriana officinalis (valerian). alpha-Valerenol is found in tea, fats and oils, and herbs and spices. alpha-Valerenol is found in fats and oils. alpha-Valerenol is found as the free alcohol and as esters in Valeriana officinalis (valerian
Humulene epoxide II
Constituent of hops and wild ginger (Zingiber zerumbet). Humulene epoxide II is found in many foods, some of which are alcoholic beverages, rosemary, allspice, and ginger. Humulene epoxide II is found in alcoholic beverages. Humulene epoxide II is a constituent of hops and wild ginger (Zingiber zerumbet).
(3S,6E)-6-Caryophyllen-15-al
(3R,6E)-6-Caryophyllen-15-al is found in herbs and spices. (3R,6E)-6-Caryophyllen-15-al is a constituent of Clary sage oil (Salvia sclarea). Constituent of Clary sage oil (Salvia sclarea). (3R,6E)-6-Caryophyllen-15-al is found in herbs and spices.
(R)-2,7(14),9-Bisabolatrien-11-ol
(R)-2,7(14),9-Bisabolatrien-11-ol is found in jerusalem artichoke. (R)-2,7(14),9-Bisabolatrien-11-ol is a constituent of essential oil of Helianthus tuberosus (Jerusalem artichoke) Constituent of essential oil of Helianthus tuberosus (Jerusalem artichoke). (R)-2,7(14),9-Bisabolatrien-11-ol is found in jerusalem artichoke and root vegetables.
Bisacurol
Constituent of Curcuma xanthorrhiza (Java turmeric). Bisacurol is found in herbs and spices, beverages, and root vegetables. Bisacurol is found in beverages. Bisacurol is a constituent of Curcuma xanthorrhiza (Java turmeric).
13-Tetradecene-1,3-diyne-6,7-diol
13-Tetradecene-1,3-diyne-6,7-diol is found in tea. 13-Tetradecene-1,3-diyne-6,7-diol is a constituent of the roots of Panax ginseng (ginseng). Constituent of the roots of Panax ginseng (ginseng). 13-Tetradecene-1,3-diyne-6,7-diol is found in tea.
11-Copaen-4-ol
11-Copaen-4-ol is found in herbs and spices. 11-Copaen-4-ol is a constituent of Ocimum americanum (wild basil). Constituent of Ocimum americanum (wild basil). 11-Copaen-4-ol is found in herbs and spices.
Isoshyobunone
Constituent of the rhizomes of Acorus calamus (sweet flag). Isoshyobunone is found in herbs and spices and root vegetables. Isoshyobunone is found in herbs and spices. Isoshyobunone is a constituent of the rhizomes of Acorus calamus (sweet flag).
8alpha-3-Copaen-8-ol
Isolated from root of Angelica archangelica (angelica). 8alpha-3-Copaen-8-ol is found in fats and oils, herbs and spices, and green vegetables. 8alpha-3-Copaen-8-ol is found in fats and oils. 8alpha-3-Copaen-8-ol is isolated from root of Angelica archangelica (angelica).
Dihydronootkatone
Dihydronootkatone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
Apritone
Apritone is a flavouring agent for baked goods and candie Flavouring agent for baked goods and candies
3-Phenylpropyl isovalerate
3-Phenylpropyl isovalerate is a flavouring ingredient. Flavouring ingredient
trans-beta-Santalol
trans-beta-Santalol is a flavouring ingredient. trans-beta-Santalol is a constituent of Santalum album (sandalwood). Flavouring ingredient. Constituent of Santalum album (sandalwood)
1,2-Bis(1-ethoxyethoxy)propane
1,2-Bis(1-ethoxyethoxy)propane is a flavouring agent and adjuvant. Aldehyde generator used for enhancing the flavour of orange drinks. Flavouring agent and adjuvant. Aldehyde generator used for enhancing the flavour of orange drinks
Hexyl phenylacetate
Hexyl phenylacetate is found in tea. Hexyl phenylacetate is a flavouring ingredient. Flavouring ingredient. Hexyl phenylacetate is found in tea.
2-Phenylethyl hexanoate
2-Phenylethyl hexanoate is found in alcoholic beverages. 2-Phenylethyl hexanoate is found in alcoholic drinks, fruit juices and other natural sources. 2-Phenylethyl hexanoate is a food flavour. Found in alcoholic drinks, fruit juices and other natural sources. Food flavour
Vetiverol
Limited use in foods. Mainly to reinforce the flavour of asparagus. Limited use in foods. Mainly to reinforce the flavour of asparagus
3,4-Dihydro-2,2,5,7,8-pentamethyl-2H-1-benzopyran-6-ol
3,4-Dihydro-2,2,5,7,8-pentamethyl-2H-1-benzopyran-6-ol is found in fats and oils. 3,4-Dihydro-2,2,5,7,8-pentamethyl-2H-1-benzopyran-6-ol is an antioxidant for edible oils and fats. Antioxidant for edible oils and fats. 3,4-Dihydro-2,2,5,7,8-pentamethyl-2H-1-benzopyran-6-ol is found in fats and oils. C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C146993 - Androgen Receptor Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen D020011 - Protective Agents > D000975 - Antioxidants
2-Methyl-1-phenyl-2-propanyl butyrate
2-Methyl-1-phenyl-2-propanyl butyrate is a flavouring agent. Flavouring agent
(3R)-3-Methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-1-yn-3-ol
(1S,2R,5S,7R,8R)-6,6,8-Trimethyltricyclo[5.3.1.01,5]undecane-2-carbaldehyde
Bisabola-3,10-dien-2-one
Bisabola-3,10-dien-2-one is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Bisabola-3,10-dien-2-one can be found in turmeric, which makes bisabola-3,10-dien-2-one a potential biomarker for the consumption of this food product.
1,2-Humulene epoxide
1,2-humulene epoxide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1,2-humulene epoxide can be found in lemon balm, which makes 1,2-humulene epoxide a potential biomarker for the consumption of this food product.
5,10(15)-Cadinen-4-ol
5,10(15)-cadinen-4-ol is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. 5,10(15)-cadinen-4-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 5,10(15)-cadinen-4-ol can be found in pepper (spice) and sweet basil, which makes 5,10(15)-cadinen-4-ol a potential biomarker for the consumption of these food products.
Humulene epoxide
Humulene epoxide is a member of the class of compounds known as epoxides. Epoxides are compounds containing a cyclic ether with three ring atoms(one oxygen and two carbon atoms). Humulene epoxide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Humulene epoxide can be found in cloves and sweet basil, which makes humulene epoxide a potential biomarker for the consumption of these food products.
alpha-Humulene epoxide
Alpha-humulene epoxide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Alpha-humulene epoxide can be found in cloves and pot marjoram, which makes alpha-humulene epoxide a potential biomarker for the consumption of these food products.
4,4-Dimethyltricyclo[6.3.2.0]-trideca-8-ene-1-ol
4,4-dimethyltricyclo[6.3.2.0]-trideca-8-ene-1-ol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 4,4-dimethyltricyclo[6.3.2.0]-trideca-8-ene-1-ol can be found in cloves, which makes 4,4-dimethyltricyclo[6.3.2.0]-trideca-8-ene-1-ol a potential biomarker for the consumption of this food product.
trans-beta-Sesquiphellandrol
Trans-beta-sesquiphellandrol is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Trans-beta-sesquiphellandrol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Trans-beta-sesquiphellandrol can be found in ginger, which makes trans-beta-sesquiphellandrol a potential biomarker for the consumption of this food product.
cedr-8(15)-en-9-ol
Flavouring compound [Flavornet]
8-hydroxy-(+)-delta-cadinene
8-hydroxy-(+)-delta-cadinene is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. 8-hydroxy-(+)-delta-cadinene is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 8-hydroxy-(+)-delta-cadinene can be found in a number of food items such as chinese mustard, chinese chestnut, chanterelle, and millet, which makes 8-hydroxy-(+)-delta-cadinene a potential biomarker for the consumption of these food products.
Bicyclo[7.2.0]undec-3-en-5-ol, 4,11,11-trimethyl-8-methylene-, (1R,3E,5R,9S)-
Selina-4(14),7(11)-diene-9-ol
1,10-Epoxy-aristolane
(E)-6-Methyl-2-(4-methyl-3-cyclohexen-1-yl)-2-hepten-4-one
(-)-1abeta,2,4alpha,5,6,7,7a,7bbeta-Octahydro-1,1,7beta,7abeta-tetramethyl-1H-cyclopropa[a]naphthalen-4-ol
(1S-cis)-4-[2,2-Dimethyl-3-(4-methyl-3-furanyl)cyclopropyl]-2-butanone
alpha-Ethenyl-alpha,2,3,6-tetramethyl-2,5-cyclohexadiene-1-propanol
alpha-Costol
beta-Dictyopterol
(1R,3aR,4R,7aS)-Octahydro-3a-methyl-7-methylene-1-(2-methyl-1-propenyl)-1H-inden-4-ol
1,2,3a,6-Tetramethyloctahydrocyclopenta[c]pentalen-3(3ah)-one #
[1R-(1alpha,6alpha,8aalpha)]-1,2,6,7,8,8a-Hexahydro-4,8a-dimethyl-6-(1-methylethyl)-1-naphthalenol
2-Methyl-1-[3-methyl-6-(1-methylethylidene)-3-cyclohexen-1-yl]-3-buten-2-ol #
[2S-[2alpha,5alpha(E)]]-5-(1,5-Dimethyl-1,4-hexadienyl)-2-ethenyltetrahydro-2-methylfuran
[1S-(1alpha,2beta,3alpha,5alpha)]-2-Ethenyl-2-methyl-3,5-bis(1-methylethenyl)-cyclohexanol
beta-Agarofuran
Occidentalol
1,5,5,8-Tetramethylbicyclo[4.2.1]nona-7-ene-9-acetaldehyde
[R-(Z,E)]-5-(2,2-Dimethyl-6-methylenecyclohexyl)-3-methyl-2,4-pentadien-1-ol
[1S-(E)]-4-(1,5-Dimethyl-4-hexenylidene)-1-methyl-7-oxabicyclo[4.1.0]heptane
Torilenol
Ent-8beta-hydroxyeudesma-3,11-diene
[1R-(1alpha,3abeta,4beta,7aalpha)]-Octahydro-3a-methyl-7-methylene-1-(2-methyl-2-propenyl)-1H-inden-4-ol
alpha-Dictyopterol
(2R-cis)-1,2,3,4,6,7,8,8a-Octahydro-5,8a-dimethyl-3-(1-methylethylidene)-2-naphthalenol
4,11,11-Trimethyltricyclo[6.3.1.02.5]dodec-6-en-8-ol
Cedr-8(15)-en-9-ol
A sesquiterpenoid that is cedr-8(15)-ene substituted by a hydroxy group at position 9.
[2S-[2alpha,5beta(E)]]-5-(1,5-Dimethyl-1,4-hexadienyl)-2-ethenyltetrahydro-2-methylfuran
(Z)-6-Methyl-2-(4-methyl-3-cyclohexen-1-yl)-2-hepten-4-one
[1S-(1R*,2R*,5E,9S*)]-6,10,10-Trimethylbicyclo[7.2.0]undec-5-ene-2-carboxaldehyde
(Z)-6-Pentyl-2-(2-oxobutin-3-yliden)tetrahydropyran
(1aR*,7R*,7bS*)-1a,3,5,6,7,7b-hexahydro-1a-methyl-7-(propan-2-yl)naphtho[1,2-b]oxiren-4(2H)-one|oxyphyllone C
4-[2,2-Dimethyl-3-(4-methyl-3-furanyl)cyclopropyl]-2-butanone
13-Nor-2,9-bisaboladilene-1,11-dione|2,11-dioxo-13-nor-bisabol-3,9E-diene
(2E,4Z,8Z)-13-methyloxacyclotetradeca-2,4,8-trienone
(4R*,5S*,7R*)-7-acetyl-4,5-dimethyl-4,5,6,7,8,9-hexahydronaphthalen-2(3H)-one
4, 7, 10-Trioxa-1,13-tridecanediamine
C10H24N2O3 (220.17868339999998)
prilocaine
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local > N01BB - Amides D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
2,6-Di-tert-butyl-P-benzoquinone
CONFIDENCE standard compound; INTERNAL_ID 2460
PMHCR
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C146993 - Androgen Receptor Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen D020011 - Protective Agents > D000975 - Antioxidants
N-(6-Isopropyl-2-pyridinyl)-2,2-dimethylpropanamide
N,N-dimethyl-4-(piperidin-3-ylmethyl)pyrimidin-2-amine
4,7,10-TRIOXA-1,13-TRIDECANEDIAMINE
C10H24N2O3 (220.17868339999998)
(+)-Allylboronic acid pinanediol ester
C13H21BO2 (220.16345160000003)
Butibufen
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
(E)-2,3-dideuterio-1,3-bis(2,3,4,5,6-pentadeuteriophenyl)prop-2-en-1-one
1-(4-AMINO-5-CHLORO-2-METHOXYPHENYL)-3-[(1-2-METHYLSULPHONYLAMINO)ETHYL-4-PIPERIDINYL]-1-PROPANONEHYDROCHLORIDE
3,3-DIMETHYL-1,2,3,4,5A,6,7,8,9,9A-DECAHYDRODIBENZO[B,D]FURAN-1-ONE
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol
3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5-yl isobutyrate
2-AMINO-1-[3-(DIMETHYLAMINO)PROPYL]-4,5-DIMETHYL-1H-PYRROLE-3-CARBONITRILE
1-[4-(1,1-dimethylethyl)phenyl]-2-hydroxy-2-methylpropan-1-one
1,3-DIHYDROXY-2-METHOXYBENZENE,2-METHOXYRESORCINOL
3,5,5-Trimethyl-4-(3-methylbutadiene)-4-hydroxy-2-cyclohexen-1-one
{2-[(4-METHYLPIPERAZIN-1-YL)METHYL]PHENYL}METHANOL
1-(2-AMINOETHYL)-2-METHYL-5-NITROIMIDAZOLEDIHYDROCHLORIDEMONOHYDRATE
1-Methylcyclopentyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol
aculene D
A sesquiterpenoid that is (3aR)-4,7,8,8a-tetrahydroazulen-1(3aH)-one substituted by an ethyl, methyl, hydroxy and methyl groups at positions 3, 6, 8S, and 8aR, respectively. It is a fungal metabolite isolated from Penicillium sp. SCS-KFD08 and Aspergillus aculeatus.
1-(Ethylamino)-3-[3-(ethylamino)-2-hydroxypropoxy]-2-propanol
C10H24N2O3 (220.17868339999998)
1-(2-Methoxyethoxy)-2-methyl-2-propanol, TMS derivative
1-(2-Methoxy-1-methylethoxy)-2-propanol, TMS derivative
6-(3-Oxo-4-pentenyl)-3,5,5-trimethyl-2-cyclohexen-1-one
(2E,4E,6E,8E,10E)-4,9-dimethyldodeca-2,4,6,8,10-pentaene-1,12-diol
3-hydroxy-4-methyl-6-(prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydro-3h-naphthalen-2-one
(4as,8ar)-5,5,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4h-naphthalene-2-carbaldehyde
(2s)-1-[(2r,4s)-4,7-dimethyl-3,4-dihydro-2h-1-benzopyran-2-yl]propan-2-ol
(5r)-2,4,4,5-tetramethyl-3-[(1e)-3-oxobut-1-en-1-yl]cyclohex-2-en-1-one
4-(2-methoxyethyl)-2-(3-methylbut-2-en-1-yl)phenol
1,5-epoxy-14-nor-11-guaien-10-one; (1α,4β,5α)-form
{"Ingredient_id": "HBIN001679","Ingredient_name": "1,5-epoxy-14-nor-11-guaien-10-one; (1\u03b1,4\u03b2,5\u03b1)-form","Alias": "NA","Ingredient_formula": "C14H20O2","Ingredient_Smile": "NA","Ingredient_weight": "220.31","OB_score": "NA","CAS_id": "150034-01-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9504","PubChem_id": "NA","DrugBank_id": "NA"}
2-(2-phenyl cyclohexyloxy)ethanol
{"Ingredient_id": "HBIN003752","Ingredient_name": "2-(2-phenyl cyclohexyloxy)ethanol","Alias": "NA","Ingredient_formula": "C14H20O2","Ingredient_Smile": "C1CCC(C(C1)C2=CC=CC=C2)OCCO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "17089","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-(2-phenyl cyclohexyloxy)ethenol
{"Ingredient_id": "HBIN003753","Ingredient_name": "2-(2-phenyl cyclohexyloxy)ethenol","Alias": "NA","Ingredient_formula": "C14H20O2","Ingredient_Smile": "C1CCC(C(C1)C2=CC=CC=C2)OCCO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31784","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,5-(cyclohexadiene-1,4-dione,2,6-bis(1,1-dimethylethyl)
{"Ingredient_id": "HBIN004608","Ingredient_name": "2,5-(cyclohexadiene-1,4-dione,2,6-bis(1,1-dimethylethyl)","Alias": "NA","Ingredient_formula": "C14H20O2","Ingredient_Smile": "CC(C)(C)C1=CC(=O)C=C(C1=O)C(C)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40314","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-(p-cyclohexyl-phenoxy)ethanol
{"Ingredient_id": "HBIN006289","Ingredient_name": "2-(p-cyclohexyl-phenoxy)ethanol","Alias": "NA","Ingredient_formula": "C14H20O2","Ingredient_Smile": "C1CCC(CC1)C2=CC=C(C=C2)OCCO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4498","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}