Exact Mass: 166.1178
Exact Mass Matches: 166.1178
Found 500 metabolites which its exact mass value is equals to given mass value 166.1178,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Epinepetalactone
Cis-trans-nepetalactone is a cyclopentapyran that is (4aS,7aR)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran substituted at position 1 by an oxo group and at positions 4 and 7 by methyl groups, respectively (the 4aS,7S,7aR-diastereomer). An iridoid monoterpenoid isolated from several Nepeta plant species. It is an aphid sex pheromone and cat attractant, and exhibits antibacterial, antifungal, and analgesic properties. It has a role as a pheromone, a plant metabolite, an insect attractant, an analgesic, an insect repellent, an antibacterial agent and an antifungal agent. It is an iridoid monoterpenoid and a cyclopentapyran. Nepetalactone cis-trans-form is a natural product found in Nepeta cataria, Nepeta tuberosa, and Nepeta racemosa with data available. (5S,8S,9R)-Nepetalactone is found in herbs and spices. (5S,8S,9R)-Nepetalactone is a constituent of catnip from the catmint plant Nepeta cataria Constituent of catnip from the catmint plant Nepeta cataria. (5S,8S,9R)-Nepetalactone is found in tea and herbs and spices. 4aα,7α,7aα-Nepetalactone exhibits antibacterial activity, and inhibits Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus, Salmonella typhi and Enterococcus faecalis.
Perillic acid
Perillic acid, also known as perillate, belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Perillic acid is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Perillic acid is an intermediate in the Limonene and pinene degradation pathway. (KEGG); Its measurement in urine is used to monitor cancer patients receiving oral Limonene (a farnesyl transferase inhibitor that has shown antitumor properties)(PubMed ID 8723738 ). Perillic acid is found in cardamom. C471 - Enzyme Inhibitor > C2020 - Farnesyl Transferase Inhibitor
Edrophonium
Edrophonium is only found in individuals that have used or taken this drug. It is a rapid-onset, short-acting cholinesterase inhibitor used in cardiac arrhythmias and in the diagnosis of myasthenia gravis. It has also been used as an antidote to curare principles. [PubChem]Edrophonium works by prolonging the action acetylcholine, which is found naturally in the body. It does this by inhibiting the action of the enzyme acetylcholinesterase. Acetylcholine stimulates nicotinic and muscarinic receptors. When stimulated, these receptors have a range of effects. D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D020011 - Protective Agents > D000931 - Antidotes V - Various > V04 - Diagnostic agents D004791 - Enzyme Inhibitors
dolichodial
A dialdehyde that is cyclopentanecarbaldehyde substituted by a methyl group at position 2 and a 3-oxo-prop-1-en-2yl group at position 5. It has been found to occur in pheromones of insects such as aphids.
(1xi,4xi,6xi)-Carvone oxide
(1xi,4xi,6xi)-Carvone oxide is found in herbs and spices. (1xi,4xi,6xi)-Carvone oxide is isolated from spearmint oil. Isolated from spearmint oil. (1xi,4xi,6xi)-Carvone oxide is found in herbs and spices.
(+)-Rotundifolone
(+)-rotundifolone, also known as lippione, is a member of the class of compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms (+)-rotundifolone is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (+)-rotundifolone can be found in spearmint, which makes (+)-rotundifolone a potential biomarker for the consumption of this food product.
Myrtenic acid
A monoterpenoid that is 6,6-dimethylbicyclo[3.1.1]hept-2-ene substituted by a carboxy group at position 2.
Cyclopenta(c)pyran-1(4aH)-one, 5,6,7,7a-tetrahydro-4,7-dimethyl-, (4aR,7S,7aS)-
(-)-perillic acid
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.044 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.043 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.040
Dihydrojasmone
Dihydrojasmone is found in citrus. Dihydrojasmone is a flavouring ingredient. Identified in bergamot orange oil (Citrus bergamia Flavouring ingredient. Identified in bergamot orange oil (Citrus bergamia). Dihydrojasmone is found in citrus. 3-methyl-2-pentylcyclopent-2-en-1-one is a cyclic ketone. Dihydrojasmone, a constituent of bergamot oil, is an important perfume ingredient[1].
Perilla ketone
Perilla ketone is a natural product found in Perilla frutescens var. crispa, Perilla frutescens, and other organisms with data available. Isolated from the essential oil of Perilla frutescens (perilla). Perilla ketone is found in fats and oils and herbs and spices. Perilla ketone is found in fats and oils. Perilla ketone is isolated from the essential oil of Perilla frutescens (perilla). Perilla ketone is a naturally occurring xenobiotic compound. Perilla ketone is activated by pulmonary P450 cytochrome enzymes in the lung, resulting in severe pulmonary damage and development of diffuse pulmonary edema[1]. Perilla ketone is a naturally occurring xenobiotic compound. Perilla ketone is activated by pulmonary P450 cytochrome enzymes in the lung, resulting in severe pulmonary damage and development of diffuse pulmonary edema[1].
2-Methoxy-3-(1-methylpropyl)pyrazine
2-Methoxy-3-(1-methylpropyl)pyrazine is found in alcoholic beverages. 2-Methoxy-3-(1-methylpropyl)pyrazine is a volatile component of many vegetables, e.g. asparagus, carrot, celery, cucumber, parsnip, bell peppers and pea, also in ginger, galbanum oil and white wine. 2-Methoxy-3-(1-methylpropyl)pyrazine is a flavouring ingredient. Volatile component of many vegetables, e.g. asparagus, carrot, celery, cucumber, parsnip, bell peppers and pea, also in ginger, galbanum oil and white wine. Flavouring ingredient. 2-Methoxy-3-(1-methylpropyl)pyrazine is found in many foods, some of which are yellow bell pepper, green vegetables, fenugreek, and herbs and spices. 2-methoxy-3-(1-methylpropyl) pyrazine is a member of pyrazines and an aromatic ether. 2-sec-Butyl-3-methoxypyrazine is a natural product found in Danaus plexippus, Zingiber mioga, and other organisms with data available. sec-Butyl methoxypyrazine is a metabolite found in or produced by Saccharomyces cerevisiae. 2-Sec-butyl-3-methoxypyrazine (SBMP) is a methoxypyrazine and can be identified in the ladybug species[1]. 2-Sec-butyl-3-methoxypyrazine (SBMP) is a methoxypyrazine and can be identified in the ladybug species[1].
2-Methoxy-3-(2-methylpropyl)pyrazine
Occurs in petitgrain and galbanum oils, potent bell-pepper component. Fragrance and flavouring ingredient with powerful earthy flavour. 2-Methoxy-3-(2-methylpropyl)pyrazine is found in many foods, some of which are pepper (c. frutescens), pepper (c. annuum), green bell pepper, and orange bell pepper. 2-Methoxy-3-(2-methylpropyl)pyrazine is found in common grape. 2-Methoxy-3-(2-methylpropyl)pyrazine occurs in petitgrain and galbanum oils, potent bell-pepper component. Fragrance and flavouring ingredient with powerful earthy flavou 2-Isobutyl-3-methoxypyrazine is a natural product found in Danaus plexippus, Zingiber mioga, and other organisms with data available. 2-Methoxy-3-isobutylpyrazine is a metabolite found in or produced by Saccharomyces cerevisiae. 2-Isobutyl-3-methoxypyrazine is an aroma constituent in grapes andwines, green pepper and asparagus[1]. 2-Isobutyl-3-methoxypyrazine is an aroma constituent in grapes andwines, green pepper and asparagus[1].
Rotundifolone
Rotundifolone is found in cornmint. Rotundifolone is a constituent of Mentha rotundifolia and other Mentha species Rotundifolone is a flavouring ingredient. Constituent of Mentha rotundifolia and other Mentha subspecies Flavouring ingredient. Rotundifolone is found in cornmint, spearmint, and herbs and spices.
Wine lactone
2-(2-Hydroxy-4-methyl-3-cyclohexenyl)propionic acid gamma-lactone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") Constituent of wine
4-Ethyl-1,2-dimethoxybenzene
4-Ethyl-1,2-dimethoxybenzene is found in coffee and coffee products. 4-Ethyl-1,2-dimethoxybenzene is a constituent of tea and coffee aroma. Constituent of tea and coffee aroma. 4-Ethyl-1,2-dimethoxybenzene is found in tea and coffee and coffee products.
3-Hydroxy-p-mentha-1,8-dien-7-al
3-Hydroxy-p-mentha-1,8-dien-7-al is found in fats and oils. 3-Hydroxy-p-mentha-1,8-dien-7-al is a constituent of Perilla frutescens (perilla). Constituent of Perilla frutescens (perilla). 3-Hydroxy-p-mentha-1,8-dien-7-al is found in fats and oils and herbs and spices.
Marmelolactone A
Contributes to the flavour of ripe quince fruit (Cydonia oblonga). Marmelolactone A is found in quince and fruits. Marmelolactone B is found in fruits. Marmelolactone B is from quince (Cydonia oblonga
5-Hydroxy-p-mentha-6,8-dien-2-one
5-Hydroxy-p-mentha-6,8-dien-2-one is found in herbs and spices. 5-Hydroxy-p-mentha-6,8-dien-2-one is isolated from spearmint oil. Isolated from spearmint oil. 5-Hydroxy-p-mentha-6,8-dien-2-one is found in herbs and spices.
alpha-Teresantalic acid
alpha-Teresantalic acid is a flavouring ingredient. It is isolated from Santalum album (sandalwood Flavouring ingredient. Isolated from Santalum album (sandalwood)
2,4,7-Decatrienoic acid
2,4,7-Decatrienoic acid 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
1,2:3,4-Diepoxy-p-menth-8-ene
1,2:3,4-Diepoxy-p-menth-8-ene is found in herbs and spices. 1,2:3,4-Diepoxy-p-menth-8-ene is a constituent of parsley leaves (Petroselinum crispum). Constituent of parsley leaves (Petroselinum crispum). 1,2:3,4-Diepoxy-p-menth-8-ene is found in herbs and spices and parsley.
Norecasantalol
Norecasantalol is found in cereals and cereal products. Norecasantalol is a flavouring ingredient. Norecasantalol is a constituent from oil of the famine food Santalum album (sandalwood). Flavouring ingredient. Constituent from oil of the famine food Santalum album (sandalwood). Norecasantalol is found in cereals and cereal products.
Isomintlactone
Mintlactone is found in herbs and spices. Mintlactone is a constituent of oil of peppermint. Mintlactone is a flavouring ingredient Present in peppermint oil. Flavour component. Isomintlactone is found in peppermint and herbs and spices.
2-Hydroxy-p-mentha-1,8-dien-6-one
2-Hydroxy-p-mentha-1,8-dien-6-one is found in herbs and spices. 2-Hydroxy-p-mentha-1,8-dien-6-one is isolated from spearmint oil. Isolated from spearmint oil. 2-Hydroxy-p-mentha-1,8-dien-6-one is found in herbs and spices.
Karahana lactone
Karahana lactone is found in alcoholic beverages. Karahana lactone is a constituent of hops. Constituent of hops. Karahana lactone is found in alcoholic beverages.
3-Isopropyl-2-methoxy-5-methylpyrazine
3-Isopropyl-2-methoxy-5-methylpyrazine is found in herbs and spices. 3-Isopropyl-2-methoxy-5-methylpyrazine is a constituent of Galbanum oil
2-Methoxy-4-propylphenol
2-Methoxy-4-propylphenol is a flavouring ingredien Flavouring ingredient
6-Pentyl-2H-pyran-2-one
6-Pentyl-2H-pyran-2-one is found in animal foods. 6-Pentyl-2H-pyran-2-one is present in peach (Prunus persica) and heated beef. Comly. available flavour/aroma modifier; FDA approved flavouring. Shows antibacterial and antifugal propertie Present in peach (Prunus persica) and heated beef. Comly. available flavour/aroma modifier; FDA approved flavouring. Shows antibacterial and antifugal props. 6-Pentyl-2H-pyran-2-one is found in animal foods and fruits.
2-tert-Butyl-1,4-benzenediol
2-tert-Butyl-1,4-benzenediol is found in fats and oils. 2-tert-Butyl-1,4-benzenediol is an antioxidant used in food, e.g. oils and fats. Polym. inhibito D020011 - Protective Agents > D000975 - Antioxidants D004791 - Enzyme Inhibitors TBHQ (tert-Butylhydroquinone) is a widely used Nrf2 activator, protects against Doxorubicin (DOX)-induced cardiotoxicity through activation of Nrf2[1]. TBHQ (tert-Butylhydroquinone) is also an ERK activator; rescues Dehydrocorydaline (DHC)-induced cell proliferation inhibitionin melanoma[2].
1,4-Epidioxy-p-mentha-2,8-diene
1,4-Epidioxy-p-mentha-2,8-diene is found in herbs and spices. 1,4-Epidioxy-p-mentha-2,8-diene is a constituent of parsley leaves (Petroselinum crispum). Constituent of parsley leaves (Petroselinum crispum). 1,4-Epidioxy-p-mentha-2,8-diene is found in herbs and spices and parsley.
(-)-Nopol
(-)-nopol is a member of the class of compounds known as bicyclic monoterpenoids. Bicyclic monoterpenoids are monoterpenoids containing exactly 2 rings, which are fused to each other (-)-nopol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (-)-nopol is a sweet, balsamic, and citrus tasting compound found in carrot, rosemary, and wild carrot, which makes (-)-nopol a potential biomarker for the consumption of these food products. (-)-Nopol is found in root vegetables. (-)-Nopol is present in carrots. (-)-Nopol is a flavouring agent for baked goods and candie
Limonene aldehyde
Limonene aldehyde is a flavouring ingredien Flavouring ingredient
2,4-Undecadienal
2,4-undecadienal is a member of the class of compounds known as medium-chain aldehydes. Medium-chain aldehydes are an aldehyde with a chain length containing between 6 and 12 carbon atoms. 2,4-undecadienal is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2,4-undecadienal is a caramellic and spicy tasting compound found in nuts, which makes 2,4-undecadienal a potential biomarker for the consumption of this food product. 2,4-Undecadienal is found in animal foods. 2,4-Undecadienal is present in cooked beef and roasted peanuts. 2,4-Undecadienal is a flavouring ingredien
2-Hexylidenecyclopentanone
2-Hexylidenecyclopentanone is a food flavouran
Pentyl 2-furyl ketone
Pentyl 2-furyl ketone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
2,6,6-Trimethyl-1-cyclohexen-1-acetaldehyde
2,6,6-Trimethyl-1-cyclohexen-1-acetaldehyde 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 .
1,1-Dimethoxy-2-phenylethane
1,1-Dimethoxy-2-phenylethane is a flavouring ingredien Flavouring ingredient
2,5-Undecadienal
(2E,5Z)-2,5-Undecadienal is found in animal foods. (2E,5Z)-2,5-Undecadienal is a component of cooked chicken flavour. Also by oxidation of n-6 polyene lipidl chains.
2-Heptylfuran
2-Heptylfuran is found in animal foods. Lipid-derived Maillard produced 2-Heptylfuran is a flavouring ingredient. 2-Heptylfuran is present in French fried potato, fried or roasted chicken, roast guinea hen, cooked beef, heated beef fat, used frying oils, roast filbert, endive, avocado fruit and fresh ripe tomatoe 2-Heptylfuran is a lipid-derived Maillard product. It can be used as a flavouring ingredient. It is found in french fried potato, fried or roasted chicken, roast guinea hen, cooked beef, heated beef fat, used frying oils, roast filbert, endive, avocado fruit and fresh ripe tomatoes.
2-(4-methoxyphenyl)propan-2-ol
2-(4-methoxyphenyl)propan-2-ol, also known as 4-Methoxy-alpha,alpha-dimethylbenzyl alcohol, is classified as a member of the Phenylpropanes. Phenylpropanes are organic compounds containing a phenylpropane moiety. 2-(4-methoxyphenyl)propan-2-ol is considered to be slightly soluble (in water) and relatively neutral
2,5-Cyclohexadien-1-one, 4-hydroxy-2,3,5,6-tetramethyl-
4-Tert-Butylcatechol
D020011 - Protective Agents > D000975 - Antioxidants COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Myrtenyl methyl ether
Myrtenyl methyl ether is a member of the class of compounds known as bicyclic monoterpenoids. Bicyclic monoterpenoids are monoterpenoids containing exactly 2 rings, which are fused to each other. Myrtenyl methyl ether is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Myrtenyl methyl ether can be found in hyssop and orange mint, which makes myrtenyl methyl ether a potential biomarker for the consumption of these food products.
Menthofurolactone
Menthofurolactone is a member of the class of compounds known as benzofurans. Benzofurans are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Menthofurolactone is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). Menthofurolactone can be found in cornmint, which makes menthofurolactone a potential biomarker for the consumption of this food product.
5-Hydroxycarvone
5-hydroxycarvone is a member of the class of compounds known as menthane monoterpenoids. Menthane monoterpenoids are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. 5-hydroxycarvone is soluble (in water) and a very weakly acidic compound (based on its pKa). 5-hydroxycarvone can be found in spearmint, which makes 5-hydroxycarvone a potential biomarker for the consumption of this food product.
(+/-)-cis- and trans-2-Methyl-2-(4-methyl-3-pentenyl)cyclopropanecarbaldehyde
It is used as a food additive .
(+/-)-trans- and cis-5-(2,2-Dimethylcyclopropyl)-3-methyl-2-pentenal
It is used as a food additive .
4,8-Dimethyl-3,7-nonadien-2-one, cis-
It is used as a food additive .
Lepalol
Lepalol is a member of the class of compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. Lepalol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Lepalol can be found in roman camomile, which makes lepalol a potential biomarker for the consumption of this food product.
2-(2',3'-epoxy-3'-methylbutyl)-3-methyl furan
Flavouring compound [Flavornet]
5-Ethylidene-5,6-dihydro-3,6,6-trimethyl-2-pyranone
5-(1,1-Dimethyl-2-propenyl)-3-methyl-2(4H)-furanone
[1S-[1alpha,5alpha(7R*)]]-7-hydroxy-6,6-dimethyl-2-methylenebicyclo[3.1.1]heptan-3-one
(+)-5-Hydroxy-4,6,6-trimethyl-1,3-cyclohexadiene-1-carboxaldehyde
(-)-5,5-Dimethyl-4-methylene-2-cyclohexene-1-carboxylic acid
trans-cis-Nepetalactone
A cyclopentapyran that is (4aS,7aS)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran substituted at position 1 by an oxo group and at positions 4 and 7 by methyl groups, respectively (the 4aS,7S,7aS-diastereomer). An iridoid monoterpenoid isolated from several Nepeta plant species. It exhibits potent repellant activity against house dust mites and mosquitoes.
2-Cyclopentene-1-acetaldehyde, 2-formyl-.alpha.,3-dimethyl-
2-but-2-enyl-4-hydroxy-3-methylcyclopent-2-en-1-one
6,7-Dihydro-7-isopropylidene-4-methyloxepin-2(5H)-one
2,4,4-Trimethyl-5-(hydroxymethyl)-2,5-cyclohexadiene-1-one
4,4-Dimethyl-1,6-cycloheptadiene-1-carboxylic acid
4-(Hydroxymethyl)-6,6-dimethylbicyclo[3.1.1]hepta-3-ene-2-one
4-hydroxy-2,5,5-trimethylcyclohepta-2,6-dien-1-one
3-Methyl-5-(1,1-dimethyl-2-propenyl)furan-2(5H)-one
3a,4,7,7a-Tetrahydro-3,6-dimethylbenzofuran-2(3H)-one
Tricyclo(2.2.1.02,6)heptane-1-carboxylic acid, 7,7-dimethyl-
5-Hydroxy-4,6,6-trimethyl-1,3-cyclohexadiene-1-carbaldehyde
5,5-Dimethyl-cyclohepta-1,6-diencarbonsaeure|5,5-dimethyl-cyclohepta-1,6-dienecarboxylic acid|5.5-Dimethyl-cyclohepta-1.6-dien-1-carbonsaeure
4,4-Dimethyl-2,5-cycloheptadiene-1-carboxylic acid
4,4-Dimethyl-2,6-cycloheptadiene-1-carboxylic acid
5,5-Dimethyl-1,3-cycloheptadiene-1-carboxylic acid
Dihydrojasmone
[Raw Data] CB022_Dihydrojasmone_pos_50eV_CB000012.txt [Raw Data] CB022_Dihydrojasmone_pos_40eV_CB000012.txt [Raw Data] CB022_Dihydrojasmone_pos_30eV_CB000012.txt [Raw Data] CB022_Dihydrojasmone_pos_20eV_CB000012.txt [Raw Data] CB022_Dihydrojasmone_pos_10eV_CB000012.txt Dihydrojasmone, a constituent of bergamot oil, is an important perfume ingredient[1].
6-Pentyl-2H-pyran-2-one
CONFIDENCE standard compound; INTERNAL_ID 795; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4297; ORIGINAL_PRECURSOR_SCAN_NO 4296 CONFIDENCE standard compound; INTERNAL_ID 795; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4315; ORIGINAL_PRECURSOR_SCAN_NO 4311 CONFIDENCE standard compound; INTERNAL_ID 795; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4277; ORIGINAL_PRECURSOR_SCAN_NO 4274 CONFIDENCE standard compound; INTERNAL_ID 795; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4302; ORIGINAL_PRECURSOR_SCAN_NO 4300 CONFIDENCE standard compound; INTERNAL_ID 795; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4329; ORIGINAL_PRECURSOR_SCAN_NO 4325 CONFIDENCE standard compound; INTERNAL_ID 795; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4339; ORIGINAL_PRECURSOR_SCAN_NO 4337 CONFIDENCE standard compound; INTERNAL_ID 795; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8707; ORIGINAL_PRECURSOR_SCAN_NO 8702 CONFIDENCE standard compound; INTERNAL_ID 795; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8739; ORIGINAL_PRECURSOR_SCAN_NO 8734 CONFIDENCE standard compound; INTERNAL_ID 795; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8768; ORIGINAL_PRECURSOR_SCAN_NO 8764 CONFIDENCE standard compound; INTERNAL_ID 795; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8784; ORIGINAL_PRECURSOR_SCAN_NO 8779 CONFIDENCE standard compound; INTERNAL_ID 795; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8732; ORIGINAL_PRECURSOR_SCAN_NO 8729 CONFIDENCE standard compound; INTERNAL_ID 795; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8777; ORIGINAL_PRECURSOR_SCAN_NO 8774
tert-Butylcatechol
CONFIDENCE standard compound; INTERNAL_ID 1290; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4081; ORIGINAL_PRECURSOR_SCAN_NO 4077 D020011 - Protective Agents > D000975 - Antioxidants COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 1290; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4098; ORIGINAL_PRECURSOR_SCAN_NO 4095 CONFIDENCE standard compound; INTERNAL_ID 1290; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4089; ORIGINAL_PRECURSOR_SCAN_NO 4087 CONFIDENCE standard compound; INTERNAL_ID 1290; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4089; ORIGINAL_PRECURSOR_SCAN_NO 4085 CONFIDENCE standard compound; INTERNAL_ID 1290; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4109; ORIGINAL_PRECURSOR_SCAN_NO 4106 CONFIDENCE standard compound; INTERNAL_ID 1290; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4095; ORIGINAL_PRECURSOR_SCAN_NO 4092 CONFIDENCE standard compound; INTERNAL_ID 1290; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8734; ORIGINAL_PRECURSOR_SCAN_NO 8732 CONFIDENCE standard compound; INTERNAL_ID 1290; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8739; ORIGINAL_PRECURSOR_SCAN_NO 8734 CONFIDENCE standard compound; INTERNAL_ID 1290; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8784; ORIGINAL_PRECURSOR_SCAN_NO 8779 CONFIDENCE standard compound; INTERNAL_ID 1290; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8804; ORIGINAL_PRECURSOR_SCAN_NO 8802 CONFIDENCE standard compound; INTERNAL_ID 1290; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8777; ORIGINAL_PRECURSOR_SCAN_NO 8774
5-Hydroxy-2,4-decadienoic acid gamma-lactone
6-Pentyl-2H-pyran-2-one. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=27593-23-3 (retrieved 2024-07-16) (CAS RN: 27593-23-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
T-BHQ
D020011 - Protective Agents > D000975 - Antioxidants D004791 - Enzyme Inhibitors TBHQ (tert-Butylhydroquinone) is a widely used Nrf2 activator, protects against Doxorubicin (DOX)-induced cardiotoxicity through activation of Nrf2[1]. TBHQ (tert-Butylhydroquinone) is also an ERK activator; rescues Dehydrocorydaline (DHC)-induced cell proliferation inhibitionin melanoma[2].
2-sec-Butyl-3-methoxypyrazine
2-Sec-butyl-3-methoxypyrazine (SBMP) is a methoxypyrazine and can be identified in the ladybug species[1]. 2-Sec-butyl-3-methoxypyrazine (SBMP) is a methoxypyrazine and can be identified in the ladybug species[1]. 2-sec-Butyl-3-methoxypyrazine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=24168-70-5 (retrieved 2024-08-21) (CAS RN: 24168-70-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Perilla ketone
Perilla ketone is a naturally occurring xenobiotic compound. Perilla ketone is activated by pulmonary P450 cytochrome enzymes in the lung, resulting in severe pulmonary damage and development of diffuse pulmonary edema[1]. Perilla ketone is a naturally occurring xenobiotic compound. Perilla ketone is activated by pulmonary P450 cytochrome enzymes in the lung, resulting in severe pulmonary damage and development of diffuse pulmonary edema[1].
2-Heptylfuran
A member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a heptyl group. It is an effective inhibitor of chemical induced carcinogenesis.
1-ISOPROPYL-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBALDEHYDE
(1-DIAZO-2-OXO-PROPYL)-PHOSPHONICACIDDIMETHYLESTER
4-(4-METHOXY-2,5-DIMETHYL-PHENYL)-THIAZOL-2-YLAMINE
Spiro[1-azabicyclo[2.2.1]heptane-2,3-pyrrolidin]-2-one (9CI)
4,8-Dimethyl-3,7-nonadien-2-one
It is used as a food additive .
2-PROPYL-4,5,6,7-TETRAHYDRO-OXAZOLO[5,4-C]PYRIDINE
2,6,6-trimethylbicyclo[3.1.1]heptane-3-carbaldehyde
2,3,3a,4,7,7a-hexahydro-1h-indene-2-carboxylic acid
Spiro[1-azabicyclo[2.2.1]heptane-7,3-pyrrolidin]-2-one (9CI)
Ethanone, 1-(2-ethyl-1,3-dimethyl-2-cyclopenten-1-yl)- (9CI)
3-ISOPROPYL-5,6,7,8-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZINE
1-(2-METHOXYCARBONYL-PROPYL)-PYRROLIDINE-3-CARBOXYLICACID
Cyclopentanecarboxaldehyde, 1-(1,1-dimethyl-2-propenyl)-
2-(5-methyl-3-isoxazolyl)piperidine(SALTDATA: FREE)
7-Oxabicyclo[4.1.0]heptan-2-one, 1-methyl-4-(1-methylethenyl)-
6-Methyl-3-propan-2-ylidene-7-oxabicyclo[4.1.0]heptan-2-one
553-84-4
Perilla ketone is a naturally occurring xenobiotic compound. Perilla ketone is activated by pulmonary P450 cytochrome enzymes in the lung, resulting in severe pulmonary damage and development of diffuse pulmonary edema[1]. Perilla ketone is a naturally occurring xenobiotic compound. Perilla ketone is activated by pulmonary P450 cytochrome enzymes in the lung, resulting in severe pulmonary damage and development of diffuse pulmonary edema[1].
24683-00-9
2-Isobutyl-3-methoxypyrazine is an aroma constituent in grapes andwines, green pepper and asparagus[1]. 2-Isobutyl-3-methoxypyrazine is an aroma constituent in grapes andwines, green pepper and asparagus[1].
(+/-)-cis- and trans-2-Methyl-2-(4-methyl-3-pentenyl)cyclopropanecarbaldehyde
It is used as a food additive .
[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium
(3R,5S)-3-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]oxolan-2-one
(4R,7R)-7-isopropenyl-4-methyl-1-oxaspiro[2.5]octane
3a,6a-Dimethyl-2,3,5,6-tetrahydropentalene-1,4-dione
1,3,4,6-Tetramethyl-2-oxabicyclo(4.1.0)hept-3-EN-5-one
2,4,4-Trimethylbicyclo(3.1.1)heptan-2,3-epoxy-6-one
Nepetalactone
Cis-trans-nepetalactone is a cyclopentapyran that is (4aS,7aR)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran substituted at position 1 by an oxo group and at positions 4 and 7 by methyl groups, respectively (the 4aS,7S,7aR-diastereomer). An iridoid monoterpenoid isolated from several Nepeta plant species. It is an aphid sex pheromone and cat attractant, and exhibits antibacterial, antifungal, and analgesic properties. It has a role as a pheromone, a plant metabolite, an insect attractant, an analgesic, an insect repellent, an antibacterial agent and an antifungal agent. It is an iridoid monoterpenoid and a cyclopentapyran. Nepetalactone cis-trans-form is a natural product found in Nepeta cataria, Nepeta tuberosa, and Nepeta racemosa with data available. A cyclopentapyran that is (4aS,7aR)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran substituted at position 1 by an oxo group and at positions 4 and 7 by methyl groups, respectively (the 4aS,7S,7aR-diastereomer). An iridoid monoterpenoid isolated from several Nepeta plant species. It is an aphid sex pheromone and cat attractant, and exhibits antibacterial, antifungal, and analgesic properties. 4aα,7α,7aα-Nepetalactone exhibits antibacterial activity, and inhibits Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus, Salmonella typhi and Enterococcus faecalis.
Edrophonium
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D020011 - Protective Agents > D000931 - Antidotes V - Various > V04 - Diagnostic agents D004791 - Enzyme Inhibitors
tert-Butylhydroquinone
D020011 - Protective Agents > D000975 - Antioxidants D004791 - Enzyme Inhibitors TBHQ (tert-Butylhydroquinone) is a widely used Nrf2 activator, protects against Doxorubicin (DOX)-induced cardiotoxicity through activation of Nrf2[1]. TBHQ (tert-Butylhydroquinone) is also an ERK activator; rescues Dehydrocorydaline (DHC)-induced cell proliferation inhibitionin melanoma[2].
durohydroquinone
A member of the class of hydroquinones that is benzene-1,4-diol carrying four methyl groups at positions 2, 3, 5 and 6.
pseudoephedrine(1+)
An organic cation obtained by protonation of the secondary amino function of pseudoephedrine.
6-n-Pentyl-alpha-pyrone
A natural product found in Myrothecium and Trichoderma koningii.
2-(4-Methoxyphenyl)-2-propanol
A tertiary alcohol that is propan-2-ol substituted by a 4-methoxyphenyl group at position 2. Metabolite observed in cancer metabolism.
cis-cis-nepetalactone
A cyclopentapyran that is (4aR,7aS)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran substituted at position 1 by an oxo group and at positions 4 and 7 by methyl groups, respectively (the 4aR,7S,7aS-diastereomer). An iridoid monoterpenoid isolated from several Nepeta plant species.
(1r,5s)-2,5,6,6-tetramethylcyclohex-2-ene-1-carbaldehyde
(3s)-3-hydroxy-4,6,6-trimethylcyclohexa-1,4-diene-1-carbaldehyde
2-methyl-5-(1-oxopropan-2-yl)cyclopent-2-ene-1-carbaldehyde
5-methylidene-6-(prop-1-en-2-yl)cyclohex-2-ene-1,4-diol
2-[(1r,2r,3r,4r,6s)-2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl]ethanol
7,7-dimethylbicyclo[4.1.0]hept-2-ene-3-carboxylic acid
(1r,6s)-7,7-dimethylbicyclo[4.1.0]hept-2-ene-3-carboxylic acid
(1s,3r,5s)-3-hydroxy-7,7-dimethyl-2-methylidenebicyclo[3.1.1]heptan-6-one
4,4-dimethylcyclohepta-2,5-diene-1-carboxylic acid
(5s)-5-hydroxy-4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde
10-hydroxyverbenone
{"Ingredient_id": "HBIN000158","Ingredient_name": "10-hydroxyverbenone","Alias": "NA","Ingredient_formula": "C10H14O2","Ingredient_Smile": "CC1(C2CC1C(=O)C=C2CO)C","Ingredient_weight": "166.22 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32360","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101594685","DrugBank_id": "NA"}
4-[1,1-Dimethylethyl]-1,2-benzenediol
{"Ingredient_id": "HBIN009805","Ingredient_name": "4-[1,1-Dimethylethyl]-1,2-benzenediol","Alias": "NA","Ingredient_formula": "C10H14O2","Ingredient_Smile": "CC(C)(C)C1=CC(=C(C=C1)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40379","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
actinidialactone
{"Ingredient_id": "HBIN014635","Ingredient_name": "actinidialactone","Alias": "NA","Ingredient_formula": "C10H14O2","Ingredient_Smile": "CC1C2CC=C(C2(OC1=O)C)C","Ingredient_weight": "166.22 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "581","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101410414","DrugBank_id": "NA"}
