Exact Mass: 250.178
Exact Mass Matches: 250.178
Found 500 metabolites which its exact mass value is equals to given mass value 250.178,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Gemfibrozil
A lipid-regulating agent that lowers elevated serum lipids primarily by decreasing serum triglycerides with a variable reduction in total cholesterol. These decreases occur primarily in the VLDL fraction and less frequently in the LDL fraction. Gemfibrozil increases HDL subfractions HDL2 and HDL3 as well as apolipoproteins A-I and A-II. Its mechanism of action has not been definitely established. [PubChem] CONFIDENCE standard compound; INTERNAL_ID 448; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5593; ORIGINAL_PRECURSOR_SCAN_NO 5591 CONFIDENCE standard compound; INTERNAL_ID 448; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5614; ORIGINAL_PRECURSOR_SCAN_NO 5613 CONFIDENCE standard compound; INTERNAL_ID 448; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5641; ORIGINAL_PRECURSOR_SCAN_NO 5637 CONFIDENCE standard compound; INTERNAL_ID 448; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5627; ORIGINAL_PRECURSOR_SCAN_NO 5624 CONFIDENCE standard compound; INTERNAL_ID 448; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5626; ORIGINAL_PRECURSOR_SCAN_NO 5624 CONFIDENCE standard compound; INTERNAL_ID 448; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5624; ORIGINAL_PRECURSOR_SCAN_NO 5622 C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065687 - Cytochrome P-450 CYP2C8 Inhibitors C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AB - Fibrates D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents CONFIDENCE standard compound; INTERNAL_ID 4077 CONFIDENCE standard compound; INTERNAL_ID 2691 D009676 - Noxae > D000963 - Antimetabolites Gemfibrozil is an activator of PPAR-α, used as a lipid-lowering agent; Gemfibrozil is also a nonselective inhibitor of several P450 isoforms, with Ki values for CYP2C9, 2C19, 2C8, and 1A2 of 5.8, 24, 69, and 82 μM, respectively.
Rivastigmine
Rivastigmine is only found in individuals that have used or taken this drug. It is a parasympathomimetic or cholinergic agent for the treatment of mild to moderate dementia of the Alzheimers type. Rivastigmine is a cholinesterase inhibitor that inhibits both butyrylcholinesterase and acetylcholinesterase.Rivastigmine is a carbamate derivative that is structurally related to physostigmine, but not to donepezil and tacrine. The precise mechanism of rivastigmine has not been fully determined, but it is suggested that rivastigmine binds reversibly with and inactivates chlolinesterase (eg. acetylcholinesterase, butyrylcholinesterase), preventing the hydrolysis of acetycholine, and thus leading to an increased concentration of acetylcholine at cholinergic synapses. The anticholinesterase activity of rivastigmine is relatively specific for brain acetylcholinesterase and butyrylcholinesterase compared with those in peripheral tissues. D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors N - Nervous system > N06 - Psychoanaleptics > N06D - Anti-dementia drugs > N06DA - Anticholinesterases D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor CONFIDENCE standard compound; EAWAG_UCHEM_ID 2844 EAWAG_UCHEM_ID 2844; CONFIDENCE standard compound D020011 - Protective Agents D004791 - Enzyme Inhibitors
3-Hydroxylidocaine
3-Hydroxylidocaine is a metabolite of lidocaine. Lidocaine, Xylocaine, or lignocaine is a common local anesthetic and antiarrhythmic drug. Lidocaine is used topically to relieve itching, burning and pain from skin inflammations, injected as a dental anesthetic or as a local anesthetic for minor surgery. (Wikipedia)
Arbusculin A
A sesquiterpene lactone isolated from Saussureae Radix and has been shown to exhibit inhibitory activity against melanogenesis.
2-cis,4-trans-xanthoxin
2-cis,4-trans-xanthoxin, also known as xanthoxin, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. 2-cis,4-trans-xanthoxin is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 2-cis,4-trans-xanthoxin can be found in a number of food items such as broad bean, canola, mustard spinach, and hickory nut, which makes 2-cis,4-trans-xanthoxin a potential biomarker for the consumption of these food products. D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
Abscisic alcohol
Abscisic alcohol is found in fruits. Abscisic alcohol is a constituent of quince (Cydonia oblonga) fruit. Constituent of quince (Cydonia oblonga) fruit. Abscisic alcohol is found in fruits.
methyl farnesoate
A member of the juvenile hormone family of compounds that is the methyl ester of farnesoic acid. Found in several species of crustaceans.
1-Deoxy-11beta-hydroxypentalenate
Pentalenate
(2R,5R,8S,9R)-9-Hydroxy-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid is a sesquiterpenoid.
6alpha-hydroxy-germacra-1(10),4,11(13)-trien-12-oate
2-Ethylhexylparaben
CONFIDENCE standard compound; INTERNAL_ID 762; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5047; ORIGINAL_PRECURSOR_SCAN_NO 5044 CONFIDENCE standard compound; INTERNAL_ID 762; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5052; ORIGINAL_PRECURSOR_SCAN_NO 5050 CONFIDENCE standard compound; INTERNAL_ID 762; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5050; ORIGINAL_PRECURSOR_SCAN_NO 5048 CONFIDENCE standard compound; INTERNAL_ID 762; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5060; ORIGINAL_PRECURSOR_SCAN_NO 5057 CONFIDENCE standard compound; INTERNAL_ID 762; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5067; ORIGINAL_PRECURSOR_SCAN_NO 5062 CONFIDENCE standard compound; INTERNAL_ID 762; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5044; ORIGINAL_PRECURSOR_SCAN_NO 5041
2-[(1R,3E,7E,10S)-10-Hydroxy-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enoic acid
Valerenolic acid
Constituent of the roots of Valeriana officinalis (valerian). Valerenolic acid is found in tea, fats and oils, and herbs and spices. Valerenolic acid is found in fats and oils. Valerenolic acid is a constituent of the roots of Valeriana officinalis (valerian).
(6beta,8alpha)-6-Hydroxy-7(11)-eremophilen-12,8-olide
(6beta,8alpha)-6-Hydroxy-7(11)-eremophilen-12,8-olide is found in giant butterbur. (6beta,8alpha)-6-Hydroxy-7(11)-eremophilen-12,8-olide is a constituent of Petasites japonicus (sweet coltsfoot) Constituent of Petasites japonicus (sweet coltsfoot). 6b-Hydroxy-7(11)-eremophilen-12,8a-olide is found in giant butterbur and green vegetables.
Procurcumadiol
Procurcumadiol is found in herbs and spices. Procurcumadiol is a constituent of Curcuma longa (turmeric) Constituent of Curcuma longa (turmeric). Procurcumadiol is found in turmeric and herbs and spices.
Lactaronecatorin A
Lactaronecatorin A is found in mushrooms. Lactaronecatorin A is a constituent of Lactarius blennius (slimy milk cap). Constituent of Lactarius blennius (slimy milk cap). Lactaronecatorin A is found in mushrooms.
Ketosantalic acid
Ketosantalic acid is a flavouring ingredient. Ketosantalic acid is a constituent of Indian sandalwood oi Flavouring ingredient. Constituent of Indian sandalwood oil
Norambreinolide
Norambreinolide is found in herbs and spices. Norambreinolide is used to enhance the flavour of beverages and foodstuffs. Norambreinolide is a flavouring ingredient. Norambreinolide is a constituent of labdanum oil and clary sage (Salvia sclarea). It is used to enhance the flavour of beverages and foodstuffs. Flavouring ingredient. Constituent of labdanum oil and clary sage (Salvia sclarea). Norambreinolide is found in herbs and spices. Sclareolide is isolated from the flower of Perilla frutescens with antibacterial and cytotoxic activities[1]. Sclareolide is isolated from the flower of Perilla frutescens with antibacterial and cytotoxic activities[1].
13-Hydroxymarasmene
14-Hydroxymarasmene is found in mushrooms. 14-Hydroxymarasmene is a metabolite of Marasmius oreades (fairy ring mushroom
Ketopelenolide a
From Artemisia absinthium (wormwood). Ketopelenolide a is found in alcoholic beverages and herbs and spices. Ketopelenolide b is found in alcoholic beverages. Ketopelenolide b is from Artemisia absinthium (wormwood).
Cadabicilone
Cadabicilone is found in fruits. Cadabicilone is a constituent of the famine food Cadaba farinosa (luqata sigmama). Constituent of the famine food Cadaba farinosa (luqata sigmama). Cadabicilone is found in fruits.
(3beta,6beta)-Furanoeremophilane-3,6-diol
(3beta,6beta)-Furanoeremophilane-3,6-diol is found in giant butterbur. (3beta,6beta)-Furanoeremophilane-3,6-diol is a constituent of Petasites japonicus (sweet coltsfoot) Constituent of Petasites japonicus (sweet coltsfoot). Furanofukinol is found in giant butterbur and green vegetables.
3-Hydroxytrichothecene
3-Hydroxytrichothecene is isolated from Fusarium sp. Dec. produced of Trichotriol
Heliannuol A
Heliannuol A is found in fats and oils. Heliannuol A is a constituent of Helianthus annuus (sunflower). Constituent of Helianthus annuus (sunflower). Heliannuol A is found in sunflower and fats and oils.
Heliannuol D
Heliannuol D is found in fats and oils. Heliannuol D is a constituent of Helianthus annuus (sunflower) Constituent of Helianthus annuus (sunflower). Heliannuol D is found in sunflower and fats and oils.
3beta-Hydroxycinnamolide
3beta-Hydroxycinnamolide is found in mushrooms. 3beta-Hydroxycinnamolide is a constituent of Marasmius oreades (fairy ring mushroom). Constituent of Marasmius oreades (fairy ring mushroom). 3beta-Hydroxycinnamolide is found in mushrooms.
3-Ketoapotrichothecene
3-Ketoapotrichothecene is a mycotoxin from Fusarium sambucinum. Mycotoxin from Fusarium sambucinum
3beta-Dihydroxymarasmene
3beta-Dihydroxymarasmene is found in mushrooms. 3beta-Dihydroxymarasmene is a metabolite of Marasmius oreades (fairy ring mushroom
(3beta,8beta)-3-Hydroxy-7(11)-eremophilen-12,8-olide
(3beta,8beta)-3-Hydroxy-7(11)-eremophilen-12,8-olide is found in green vegetables. (3beta,8beta)-3-Hydroxy-7(11)-eremophilen-12,8-olide is a constituent of Petasites japonicus (sweet coltsfoot). Constituent of Petasites japonicus (sweet coltsfoot). 3b-Hydroxy-7(11)-eremophilen-12,8b-olide is found in green vegetables.
1-Hydroxyacorenone
1-Hydroxyacorenone is found in herbs and spices. 1-Hydroxyacorenone is a constituent of Acorus calamus (sweet flag) Constituent of Acorus calamus (sweet flag). 1-Hydroxyacorenone is found in herbs and spices and root vegetables.
3-Methyl-alpha-ionyl acetate
3-Methyl-alpha-ionyl acetate is a flavouring ingredient for candies etc. Flavouring ingredient for candies etc.
[2,2-Bis(2-methylpropoxy)ethyl]benzene
[2,2-bis(2-methylpropoxy)ethyl]benzene is a flavouring ingredient. Flavouring ingredient
Ethylhexyl salicylate
Ethylhexyl salicylate, or octyl salicylate, is an organic compound used as an ingredient in sunscreens and cosmetics to absorb UVB (ultraviolet) rays from the sun. It is an ester formed by the condensation of a salicylic acid with 2-ethylhexanol. It is a colorless oily liquid with a slight floral odor.
3,5-Di-tert-butyl-4-hydroxybenzoic acid
3,5-Di-tert-butyl-4-hydroxybenzoic acid, also known as BHT-COOH or 4-carboxy-2,6-di-tert-butylphenol, belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. Hydroxybenzoic acid derivatives are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups. BHT-COOH is a metabolite of 2,6-di-tert-butyl-4-methylphenol (BHA), 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-OH was detected in human urine (PMID: 31265952). D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens
1,2-Bis(2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl)diazene
Naepaine
C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
Triton X-100
Pesticide diluent in foods
Ipomoeamarone
Ipomoeamarone, also known as ipomeamarone, (2r-cis)-isomer or ngaione, 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. Ipomoeamarone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Ipomoeamarone can be found in sweet potato, which makes ipomoeamarone a potential biomarker for the consumption of this food product.
Hexadeca-7,10,13-trienoic acid
Hexadeca-7,10,13-trienoic acid is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Hexadeca-7,10,13-trienoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Hexadeca-7,10,13-trienoic acid can be found in spinach, which makes hexadeca-7,10,13-trienoic acid a potential biomarker for the consumption of this food product.
Hexadecatrienoic acid
Hexadecatrienoic acid, also known as hexadecatrienoate, is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Hexadecatrienoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Hexadecatrienoic acid can be found in spinach, which makes hexadecatrienoic acid a potential biomarker for the consumption of this food product.
Sclareolide
Norambreinolide is a naphthofuran. Sclareolide is a natural product found in Cistus creticus, Arnica angustifolia, and other organisms with data available. Sclareolide is isolated from the flower of Perilla frutescens with antibacterial and cytotoxic activities[1]. Sclareolide is isolated from the flower of Perilla frutescens with antibacterial and cytotoxic activities[1].
cis-1,2,3,4,4a,5,6,7-Octahydro-8-(hydroxymethyl)-4a-methyl-alpha-methylene-2-naphthaleneacetic acid
2,4-Dimethyl-2,6-bis(hydroxymethyl)indan-5-ethanol
3beta-Hydroxy-11beta,13-dihydro-desoxo-achalensolide
3-[2-(2,2-Dimethyl-6-methylenecyclohexyl)ethyl]-5-hydroxy-2(5H)-furanone
Pentalenic acid
A tricyclic sesquiterpenoid that is pentalenene in which the 13-methyl group is oxidsed to the carboxylic acid and position 1 is substituted by a hydroxy group.
3,5-Di-tert-butyl-4-hydroxybenzoic acid
D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens
Lidocaine N-oxide
CONFIDENCE Transformation product with Reference Standard (Level 1); INTERNAL_ID 801 INTERNAL_ID 801; CONFIDENCE Transformation product with Reference Standard (Level 1) CONFIDENCE standard compound; EAWAG_UCHEM_ID 3279 CONFIDENCE standard compound; INTERNAL_ID 2114
Acetamide, 2-(diethylamino)-N-(4-hydroxy-2,6-dimethylphenyl)-
2-[(3S)-3-hydroxy-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid
2-[(2S,4aR,8aS)-2-hydroxy-4a-methyl-8-methylidene-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid
(4aR,5S,8aS,9aR)-9a-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-2-one
2-[(1S,2S,4aR,8aS)-1-hydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
(+)-(1R,4S)-(2Z,4E)-4-Hydroxy-alpha-ionylideneacetic acid|(1R),4S-hydroxy-alpha-ionylideneacetic acid
(+)-12,13-dihydro-14-methoxy-14-deacetoxyspirodysin
(3aS,6S,9S,9aS,9bR)-3a,4,5,6,8,9,9a,9b-octahydro-9-hydroxy-3,6,9a-trimethylazuleno[4,5-b]furan-2(3H)-one
(4S*,7R*,8R*,11R*)-3-Oxogermacr-1(10)E-en-8,12-olide
1beta-hydroxy-eudesma-4,11(13)-dien-12-oic acid|1beta-hydroxyeudesma-4,11(13)-dien-12-oic acid
5beta,12-dihydroxy-6(14)-dehydro-5,6-dihydrocaryophyllen-7-one
(S,all-E)-3-(1,3,5,7,9-Dodecapentaenyloxy)-1,2-propanediol|3-(1,3,5,7,9-Dodecapentaenyloxy)-1,2-propanediol
flavalin B
A sesquiterpenoid of the class of nardosinane-type terpenoids isolated from the Formosan soft coral Lemnalia flava, and has been shown to exhibit neuroprotective activity.
(-)-(1S,3R)-(2E,4E)-3-hydroxy-gamma-ionylideneacetic acid|(1S,2E,3R,4E)-5-(3-Hydroxy-2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-2,4-pentadienoic acid|(2E,4E)-(1S,3R)-3-hydroxy-gamma-ionylideneacetic acid
rel-1R,9S-1,10,10-trimethylbicyclo[7.4.0]tridecane-3,6-dione
1-alpha-hydroxy-7-drimen-12,11-olide|nebularilactone B
13,14,15,16-tetranor-8(20)-labden-12-oic acid|13,14,15,16-Tetranorlabd-8(17)-en-12-oic acid|13,14,15,16-Tetranorlabd-8(17)-en-12-oige Saeure|bicyclohomofarnezenic acid|Delta8,13-bicyclohomofarnezenic acid|Tetra-nor-labda-8(17)-en-12-oic acid
(+/-)-beta-monocyclofarnesic acid methyl ester|(E)-methyl monocyclofarnesate|Methyl (E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)-2-pentenoate|methyl trans-7,8-dihydro-beta-ionyliden acetate|Methyl-trans-monocyclofarnesat|trans-Monocyclofarnesinsaeure-methylester|trans-Monocyclofarnesinsaeuremethylester
11alpha,13-dihydro-2a-hydroxyalantolactone|2alpha-hydroxy-11alpha,13-dihydroalantolactone
4-(4,8-dimethylnona-3,7-dienyl)-2-hydroxy-2H-furan-5-one
5-(hydroxymethyl)-2-(7-hydroxy-6-methylhept-2-en-2-yl)phenol
(4aR*,5R*,8aR*,9aR*)-4a,5,6,7,8,8a,9,9a-octahydro-5-hydroxy-3,5,8a-trimethylnaphtho[2,3-b]furan-2(4H)-one|4alpha-hydroxy-5alpha,8alpha(H)-eudesm-7(11)-en-8,12-olide
3-(4,8-dimethylnona-3,7-dienyl)-2-hydroxy-2H-furan-5-one
3-Me ether,7-O-(2-methylpropanoyl)-3-Hydroxy-4-isopropylbenzyl alcohol
(2S,4aR,8aS)-decahydro-alpha,4alpha-dimethyl-8-methylene-3-oxonaphthalene-2-acetic acid|(7alpha)-8-oxoeudesm-4(14)-en-12-oic acid
6alpha-hydroxy-11alphaH-germacra-1(10)E,4E-dien-12,8alpha-olide
11beta,13-dihydro-14-hydroxycostunolide|14-hydroxy-11beta,13-dihydro-dehydrocostunolide
(1R,2R,3aR,4S,7aS)-1-hydroxy-3a,4-dimethyl-4-methylenedecahydro-2H-spiro[furan-3,2-inden]-2-one|bakkenolide S|bakkenolide-S
(1R,4aS,6S,7aR)-(+)-3-ethenyl-6-hydroxy-1,4-dimethyl-6-(1-methylethyl)-7,7a-dihydrocyclopenta[c]pyran-5(1H,4aH,6H)-one|hodgsonox C
6-hydroxy-11-hydroxymethyl-11-methyl-7-methylenebicyclo[8.1.0]undec-2-ene-3-carbaldehyde|madolin Y
(1beta,11beta)-11,13-dihydro-1-hydroxyalantolactone|1beta-hydroxy-4alpha,11alphaH-eudesma-5-en-12,8beta-olide|1??-Hydroxy-4??,11??-eudesma-5-en-12,8??-olide
(-)-acetate disopropenyl-6 methyl-3 decadiene-3,9 yle (3Z,6R)|(3Z,6R)-3-methyl-6-(1-methylethenyl)-3,9-decadien-1-yl acetate|(3Z,6R)-3-methyl-6-(prop-1?-en-2?-yl)-dec-9-en-1-yl acetate|(Z)-California red scale pheromone|Ac-(3Z,6R)-3-Methyl-6-(1-methylethenyl)-3,9-decadien-1-ol
1beta-hydroxy-4beta,5alpha,8beta(H)-eudesm-7(11)Z-en-12,8-olide|chlospicate B
(E)-3-((5S,7S,7aS)-3-(hydroxymethyl)-7-methyl-2,4,5,6,7,7a-hexahydro-1H-inden-5-yl)-2-methylacrylic acid|nardin B
Antibiotic JBIR 27
(3S,3aR,4aR,5R,8aR,9aR)-3,8a-dimethyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2-oxiran]-2-one
2S,4S,5R,7R,8R,11S-2-hydroxyeremophil-1(10)-en-12,8-olide|sibiriolide D
(1R,3R,8S,E)-8,12-epoxy-1,6-cyclofarnesa-4,6,9-triene-3,11-diol
6,6,9a-Trimethyl-decahydronaphtho[1,2-c]furan-1,4-dione
1,2-dehydrocarrissonol|11,15-dihydroxy-7alphaH-eudesma-1,4-diene-3-one
(3S?,3aR?,5E,10S?,11aR?)-6,10,12-trimethyl-3,3a,4,7,8,9,10,11,11a,12-decahydro-cyclodeca[b]furan-2,7-dione|(4E,7R?,8R?,10S?,11S?)-3-oxo-germacr-4-en-8beta-12-olide|inuloxin B
4E-9beta-hydroxy-7alpha,10alphaH-germacra-4,11(13)-dien-12,6alpha-olide
8alpha-hydroxy-1alpha, 4beta,7betaH-guai-10(15)-en-5beta,8beta-endoxide
17-Carboxylic acid-(8betaH)-13,14,15,16-Tetranor-5-halimen-17-ol|5(6)-tetranorfriedolabden-12-oic acid
2,2,4,6-tetramethyl-2,3,6,7-tetrahydrospiro[cyclopropane-1,5-indene]-3,6,7-triol
6H-Oxireno[5,6]cyclonona[1,2-b]furan-6-one, decahydro-7,7,9a-trimethyl-4-methylene-
3a-Hydroxy-7,9a,9b-trimethyl-1,3a,4,5a,8,9,9a,9b-octahydrocyclopenta[c]chromen-3(2H)-one #
2-(5-ethenyltetrahydro-5-methyl-2-furanyl)-5-hydroxy-6-methyl-4,6-heptadien-3-one
(1aalpha,2beta,3beta,7alpha,7aalpha,7balpha)-1,1a,2,3,6,7,7a,7b-octahydro-2,3-dihydroxy-1,1,7,7a-tetramethyl-5H-cyclopropa[a]naphthalen-5-one|rulepidadiol
8alpha-hydroxy-1alpha,4alpha,5alpha,11betaH-guaia-10(14)-en-12,6alpha-olide
4-(5-Hydroxy-4,8-dimethyl-3,7-nonadienyl)-2(5H)-furanone|8-hydroxy-3,7,11-trimethyl-2Z,6E,10-dodecatrien-13,1-olide
5alpha-Hydroxy-beta-costic acid|5alpha-hydroxyisocostic acid
3-Me ether,7-O-(3-methylbutanoyl)-3-Hydroxy-4-isopropylbenzyl alcohol
7alpha,11alpha-epoxy-5beta-hydroxy-9-guaiaen-8-one|7alpha,11alpha-epoxy-beta-hydroxy-9-guaiaen-8-one|oxycurcumenol epoxide
(3R,4R,4aR,9R)-3,9-dihydroxy-1,4,4a,7-tetramethyl-3,4,4a,5,8,9-hexahydro-2H-benzo[a]cyclohepten-2-one|9-hydroxy-3-epi-perforenone A
(6alpha,8alpha,11betaH)-6-Hydroxy-4(15)-eudesmen-12,8-olide
3E,6E,10E-humulatrien-1alpha,8alpha-diol-5-one|mitissimol C
sclareolide
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.365 Sclareolide is isolated from the flower of Perilla frutescens with antibacterial and cytotoxic activities[1]. Sclareolide is isolated from the flower of Perilla frutescens with antibacterial and cytotoxic activities[1].
C15H22O3_2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-3,6-dihydroxy-4a,5-dimethyl-3-(1-methylethenyl)-, (3S,4aR,5R,6R)
C15H22O3_2-Naphthaleneacetic acid, decahydro-4-hydroxy-4a-methyl-alpha,8-bis(methylene)
C15H22O3_(1aS,2R,6R,7R,7aR,7bR)-1a-Isopropenyl-7,7a-dimethyl-1a,2,4,5,6,7,7a,7b-octahydronaphtho[1,2-b]oxirene-2,6-diol
C15H22O3_Naphtho[1,2-b]furan-2(3H)-one, 3a,4,5,5a,6,7,9a,9b-octahydro-6-hydroxy-3,5a,9-trimethyl
C15H22O3_3,8a-Dihydroxy-5-isopropylidene-3,8-dimethyl-2,3,3a,4,5,8a-hexahydro-6(1H)-azulenone
Ditrimethylolpropane
CONFIDENCE standard compound; INTERNAL_ID 439; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3386; ORIGINAL_PRECURSOR_SCAN_NO 3383 CONFIDENCE standard compound; INTERNAL_ID 439; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3354; ORIGINAL_PRECURSOR_SCAN_NO 3351 CONFIDENCE standard compound; INTERNAL_ID 439; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3381; ORIGINAL_PRECURSOR_SCAN_NO 3380 CONFIDENCE standard compound; INTERNAL_ID 439; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3363; ORIGINAL_PRECURSOR_SCAN_NO 3361 CONFIDENCE standard compound; INTERNAL_ID 439; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3431; ORIGINAL_PRECURSOR_SCAN_NO 3427 CONFIDENCE standard compound; INTERNAL_ID 439; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3382; ORIGINAL_PRECURSOR_SCAN_NO 3380 CONFIDENCE standard compound; INTERNAL_ID 439; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7019; ORIGINAL_PRECURSOR_SCAN_NO 7016 CONFIDENCE standard compound; INTERNAL_ID 439; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7038; ORIGINAL_PRECURSOR_SCAN_NO 7036 CONFIDENCE standard compound; INTERNAL_ID 439; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7056; ORIGINAL_PRECURSOR_SCAN_NO 7054 CONFIDENCE standard compound; INTERNAL_ID 439; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7076; ORIGINAL_PRECURSOR_SCAN_NO 7074 CONFIDENCE standard compound; INTERNAL_ID 439; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7066; ORIGINAL_PRECURSOR_SCAN_NO 7063 CONFIDENCE standard compound; INTERNAL_ID 439; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7091; ORIGINAL_PRECURSOR_SCAN_NO 7088
Octylparaben
CONFIDENCE standard compound; INTERNAL_ID 1060; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5002; ORIGINAL_PRECURSOR_SCAN_NO 5000 CONFIDENCE standard compound; INTERNAL_ID 1060; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5677; ORIGINAL_PRECURSOR_SCAN_NO 5676 CONFIDENCE standard compound; INTERNAL_ID 1060; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5711; ORIGINAL_PRECURSOR_SCAN_NO 5709 CONFIDENCE standard compound; INTERNAL_ID 1060; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5044; ORIGINAL_PRECURSOR_SCAN_NO 5041 CONFIDENCE standard compound; INTERNAL_ID 1060; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5060; ORIGINAL_PRECURSOR_SCAN_NO 5057 CONFIDENCE standard compound; INTERNAL_ID 1060; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5067; ORIGINAL_PRECURSOR_SCAN_NO 5062
8-hydroxy-11-(hydroxymethyl)-1,5,11-trimethyltricyclo[6.2.1.0²,⁶]undec-2-en-9-one_major
(4aR,5S,8aS,9aR)-9a-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-2-one_major
2-[(1S,2S,4aR,8aS)-1-hydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid_major
6-hydroxy-3,5a,9-trimethyl-3,3a,4,5,6,7,9a,9b-octahydrobenzo[g][1]benzofuran-2-one_major
2-[(2S,4aR,8aS)-2-hydroxy-4a-methyl-8-methylidene-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid_major
2-[(1S,2S,4aR,8aS)-1-hydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid_minor
8-hydroxy-11-(hydroxymethyl)-1,5,11-trimethyltricyclo[6.2.1.0²,?]undec-2-en-9-one
PROCURCUMADIOL
6beta-Hydroxyeremphilenolide
Isotrichodermol
A trichothecene mycotoxin produced by Fusarium graminearum. It is a biosynthetic precursor in the synthesis of T2-toxin.
13-Hydroxymarasmene
3-Ketoapotrichothecene
Valerenolic acid
RIVASTIGMINE
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors N - Nervous system > N06 - Psychoanaleptics > N06D - Anti-dementia drugs > N06DA - Anticholinesterases D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D020011 - Protective Agents D004791 - Enzyme Inhibitors
Triton X-100
D010592 - Pharmaceutic Aids > D014677 - Pharmaceutical Vehicles > D005079 - Excipients D009676 - Noxae > D000988 - Antispermatogenic Agents > D013089 - Spermatocidal Agents D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D013501 - Surface-Active Agents > D000934 - Antifoaming Agents D013501 - Surface-Active Agents > D003902 - Detergents D001697 - Biomedical and Dental Materials
tert-butyl N-[2-amino-2-(2-methylphenyl)ethyl]carbamate
(3,5-DIMETHYL-1-PHENYL-1H-PYRAZOL-4-YL)METHYLAMINEHYDROCHLORIDE
1-TERT-BUTYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
4,4-(DIMETHYLCYCLOHEX-2-ENONE)-2-BORONIC ACID, PINACOL ESTER
N-METHYL-N-[3-(2-MORPHOLIN-4-YLETHOXY)BENZYL]AMINE
2-[4-(2-AMINO-ETHYL)-PHENOXY]-N,N-DIETHYL-ACETAMIDE
Phenol,2,6-bis(1,1-dimethylethyl)-4-(methoxymethyl)-
tert-butyl 2-cyano-7-azaspiro[3.5]nonane-7-carboxylate
1-(2-METHYLPROPYL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
1-(2-METHYLPROPYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
3-METHYL-1-PROPYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
5,5-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-one
TERT-BUTYL 2-(AMINOMETHYL)-4-METHYLBENZYLCARBAMATE
4-{[(3-Dimethylamino-propyl)-methyl-amino]-methyl}-benzoic acid
2-Methyl-2-propanyl (3-amino-1-phenylpropyl)carbamate
1-ETHYL-3,5-DIMETHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
2-(Diethylamino)-N-(4-hydroxy-2,6-dimethylphenyl)acetamide
Formic acid, 3,7,11-trimethyl-1,6,10-dodecatrien-3-yl ester
(3Ar,9aS,9bR)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one
2-[2-(2-Ethoxyethoxy)ethoxy]ethoxy-trimethylsilane
Silane, (alpha,alpha-dimethyl-p-isopropylbenzyloxy)trimethyl-
Acetic acid 3-isobutyl-5-methylbicyclo[4.3.0]non-2-en-9-yl ester
2beta-Formyl-11alpha-methoxy-6,6,8beta-trimethyl-5alpha-tricyclo(6.3.0.0(1,5))undecane
all-cis-7,10,13-hexadecatrienoic acid
A hexadecatrienoic acid having Z double bonds at positions 7, 10 and 13.
alpha-Isomethylionyl acetate
An acetate ester resulting from the formal condensation of the carboxy group of acetic acid with the hydroxy group of 3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ol. It is used a flavoring agent.
[(1r,2s,4as,8as)-1,2,4a-trimethyl-5-methylidene-hexahydro-2h-naphthalen-1-yl]acetic acid
(1s,2s,9s,10r,14r)-6-oxo-7,14-diazatetracyclo[7.6.1.0²,⁷.0¹⁰,¹⁴]hexadecan-14-ium-14-olate
(5r)-5-{2-[(1r)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl}-5-methyloxolan-2-one
(4ar,5s,8s,8as)-5-isopropyl-8-methoxy-3,8-dimethyl-1,4a,5,6,7,8a-hexahydronaphthalen-2-one
(1r,2s,9r,10s,11s)-11-hydroxy-7,14-diazatetracyclo[7.6.1.0²,⁷.0¹⁰,¹⁴]hexadecan-6-one
1,5-di-isobutyl-3,3-dimethyl[3,1,0]-cyclohexadione
{"Ingredient_id": "HBIN001663","Ingredient_name": "1,5-di-isobutyl-3,3-dimethyl[3,1,0]-cyclohexadione","Alias": "1,5-diisobutyl-3,3-dimethyl[3,1,0]cyclohexadione; 1,5-di-isobutyl-3,3-dimethyl[3,1,0]cyclohexa-dione","Ingredient_formula": "C16H26O2","Ingredient_Smile": "CC(C)CC12CC1(C(=O)C(C2=O)(C)C)CC(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15141","TCMID_id": "25861;6187","TCMSP_id": "NA","TCM_ID_id": "9506","PubChem_id": "NA","DrugBank_id": "NA"}
5,10-diethoxy-2,3,7,8-tetrahydro-1H,6H-dipyrrolo[1,2-A.1',2'-D]pyrazine
{"Ingredient_id": "HBIN010946","Ingredient_name": "5,10-diethoxy-2,3,7,8-tetrahydro-1H,6H-dipyrrolo[1,2-A.1',2'-D]pyrazine","Alias": "NA","Ingredient_formula": "C14H22N2O2","Ingredient_Smile": "CCOC1=C2CCCN2C(=C3N1CCC3)OCC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40824","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
