Exact Mass: 250.2045
Exact Mass Matches: 250.2045
Found 500 metabolites which its exact mass value is equals to given mass value 250.2045,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
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)
Leontiformine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.295 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.290
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
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.
2-[(1R,3E,7E,10S)-10-Hydroxy-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enoic acid
8,11-Heptadecadienal
8,11-Heptadecadienal is found in fruits. 8,11-Heptadecadienal is a constituent of cucumber. Constituent of cucumber. 8,11-Heptadecadienal is found in fruits.
(Z)-9-Cycloheptadecen-1-one
(Z)-9-Cycloheptadecen-1-one is a flavouring ingredien Flavouring ingredient
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].
(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 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
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
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
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].
[4aR-(4aalpha,5alpha,8aalpha,9aalpha)]- 4a,5,6,7,8,8a,9,9a-Octahydro-8a-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one
[1R-[1a(Z),6b]]-2-Methyl-3-methyl-6-(1-methylethyl)-2-oxo-3-cyclohexen-1-yl ester
Versicolactone B
A sesquiterpene lactone with formula C15H22O3 that is isolated from Viola yedoensis and Aristolochia versicolor.
2beta-Hydroxy-9,11(13)-eremophiladien-12-oic acid
Septuplinolide
[2R-(2alpha,4aalpha,7alpha)]-1,2,3,4,4a,5,6,7-Octahydro-7-hydroxy-4a,8-dimethyl-alpha-methylene-2-naphthaleneacetic acid
Viscic acid
3beta-Hydroxy-9,11(13)-eremophiladien-12-oic acid
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)-
(+)-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
3-Me ether,7-O-(2-methylpropanoyl)-3-Hydroxy-4-isopropylbenzyl alcohol
(-)-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
5-Pentyldecahydro-5H-pyrido[1,2-c]pyrrolo[1,2-a]pyrimidine #
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
3-Me ether,7-O-(3-methylbutanoyl)-3-Hydroxy-4-isopropylbenzyl alcohol
3E,6E,10E-humulatrien-1alpha,8alpha-diol-5-one|mitissimol C
(3??,7alpha,7??H)-3,7-Dihydroxy-9,11-eremophiladien-8-one|(7S)-7-Hydroxypetasol
(1??,3alpha,7??H)-1,3-Dihydroxy-9,11-eremophiladien-8-one|1-Hydroxypetasol|1b-hydroxypetasol
(alphaR,1R,4R,4aS,8aS)-1,2,3,4,4a,5,8,8a-Octahydro-alpha,4,7-trimethyl-8-oxo-1-naphthaleneacetic acid
(7R,9E)-1,2,11-trihydroxy-1,3,5,9-bisabolatetraene|(R,E)-3-(6-hydroxy-6-methylhept-4-en-2-yl)-6-methylbenzene-1,2-diol|6-hydroxy-2-methyl-5-(5-hydroxy-1(R),5-dimethylhex-3-enyl)-phenol
2-(1,2-dihydroxy-1-methylethyl)-6,10-dimethylspiro<4,5>dec-6,9-dien-8-one
cosmosane|cosmosoic acid|rel-(4aR,8R,8aS)-3,4,4a,5,6,7,8,8a-octahydro-4a-methyl-8-(1-methylethyl)-5-oxonaphthalene-2-carboxylic acid
(4alpha,5alpha)-4-Hydroxy-11(13)-amorphen-12,5-olide|Artemislactone|Quinghaosu V
1beta,10beta-epoxy-11alphaH-eremophylan-12,8beta-olide
Aerugidiol
Aerugidiol is a natural product found in Curcuma aeruginosa, Curcuma zedoaria, and Curcuma heyneana with data available.
5α-Hydroxycostic acid
5α-Hydroxycostic acid, a eudesmane-type sesquiterpene, is isolated from the herb Laggera alata. 5α-Hydroxycostic acid inhibits angiogenesis and suppresses breast cancer cell migration through regulating VEGF/VEGFR2 and Ang2/Tie2 pathways[1].
Tox21_200020
Hydroxyvalerenic Acid is a natural product found in Valeriana officinalis with data available. See also: Valerian (part of).
1,4-Epidioxybisabola-2,10-dien-9-one
gemfibrozil
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 D009676 - Noxae > D000963 - Antimetabolites CONFIDENCE standard compound; EAWAG_UCHEM_ID 3071 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.
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_4,7-Methanoazulen-6(1H)-one, 2,4,5,7,8,8a-hexahydro-7-hydroxy-9-(hydroxymethyl)-1,4,9-trimethyl-, (1S,4R,7R,8aS)
C15H22O3_2H-Cyclohepta[b]furan-2-one, 3,3a,4,7,8,8a-hexahydro-6-(3-hydroxybutyl)-7-methyl-3-methylene
Hydroxyvalerenic acid
C15H22O3_3-Cycloheptene-1-acetic acid, 5-methyl-alpha-methylene-4-(3-oxobutyl)-, (1R,5S)
C15H22O3_Naphtho[2,3-b]furan-2(4H)-one, 4a,5,6,7,8,8a,9,9a-octahydro-9a-hydroxy-3,4a,5-trimethyl-, (4aR,5S,8aS,9aR)
C15H22O3_(3aR,4aS,5S,5aR,6aR)-5-(3-Hydroxybutyl)-5a-methyl-3-methyleneoctahydro-2H-cyclopropa[f][1]benzofuran-2-one
C15H22O3_3a-Hydroxy-3,5a,9-trimethyl-3a,4,5,5a,6,7,8,9b-octahydronaphtho[1,2-b]furan-2(3H)-one
C15H22O3_2-[(1S,2S,4aR,8aS)-1-Hydroxy-4a-methyl-8-methylenedecahydro-2-naphthalenyl]acrylic acid
C15H22O3_2-Naphthaleneacetic acid, decahydro-2-hydroxy-4a-methyl-alpha,8-bis(methylene)-, (2S,4aR,8aS)
C15H22O3_2-[(2R,4aS,7R)-7-Hydroxy-4a-methyl-8-methylenedecahydro-2-naphthalenyl]acrylic acid
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_7,8-Bis(hydroxymethyl)-1,4a-dimethyl-3,4,4a,5,6,7-hexahydro-2H-benzo[7]annulen-2-one
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
(3aR,4aS,5S,5aR,6aR)-5-(3-hydroxybutyl)-5a-methyl-3-methylidene-3a,4,4a,5,6,6a-hexahydrocyclopropa[f][1]benzofuran-2-one
6,7-bis(hydroxymethyl)-4,9a-dimethyl-2,7,8,9-tetrahydro-1H-benzo[7]annulen-3-one
8-hydroxy-11-(hydroxymethyl)-1,5,11-trimethyltricyclo[6.2.1.0²,⁶]undec-2-en-9-one
2-(4-hydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-enoic acid
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
alpha-Caryophyllene alcohol
Constituent of Cedrus atlantica. Flavouring ingredient either alone or together with ib-Caryophyllene alcohol
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
4-[2-(trans-4-Propylcyclohexyl)ethyl]cyclohexanone
Phenol,2,6-bis(1,1-dimethylethyl)-4-(methoxymethyl)-
2-(1-CYCLONONEN-1-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
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
octahydro-2,6-dimethyl-3,8:4,7-dimethano-2,6-naphthyridine-4,8-dimethanamine
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
7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecan-4-ol
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"}
