Exact Mass: 256.1463
Exact Mass Matches: 256.1463
Found 500 metabolites which its exact mass value is equals to given mass value 256.1463,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Huperzine
Huperzine b is a phenanthrol. Huperzine B is a novel acetylcholinesterase inhibitor. Huperzine b is a natural product found in Huperzia quasipolytrichoides, Huperzia herteriana, and other organisms with data available. Huperzine B is a Lycopodium alkaloid isolated from Huperzia serrata and a highly selective acetylcholinesterase (AChE) inhibitor. Huperzine B can be uesd to can be used to improve Alzheimer's disease[1][2]. Huperzine B is a Lycopodium alkaloid isolated from Huperzia serrata and a highly selective acetylcholinesterase (AChE) inhibitor. Huperzine B can be uesd to can be used to improve Alzheimer's disease[1][2].
Ancymidol
CONFIDENCE standard compound; INTERNAL_ID 526; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8087; ORIGINAL_PRECURSOR_SCAN_NO 8085 CONFIDENCE standard compound; INTERNAL_ID 526; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7994; ORIGINAL_PRECURSOR_SCAN_NO 7992 CONFIDENCE standard compound; INTERNAL_ID 526; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8044; ORIGINAL_PRECURSOR_SCAN_NO 8040 CONFIDENCE standard compound; INTERNAL_ID 526; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8083; ORIGINAL_PRECURSOR_SCAN_NO 8081 CONFIDENCE standard compound; INTERNAL_ID 526; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8034; ORIGINAL_PRECURSOR_SCAN_NO 8033
Pterostilbene
C26170 - Protective Agent > C275 - Antioxidant Pterostilbene is a stilbenoid isolated from blueberries and Pterocarpus marsupium[1]. Shows anti-oxidant, anti-inflammatory, anti-carcinogenic, anti-diabetic and anti-obesity properties[1][4]. Pterostilbene blocks ROS production[3], also exhibits inhibitory activity against various free radicals such as DPPH, ABTS, hydroxyl, superoxide and hydrogen peroxide[4]. Pterostilbene is a stilbenoid isolated from blueberries and Pterocarpus marsupium[1]. Shows anti-oxidant, anti-inflammatory, anti-carcinogenic, anti-diabetic and anti-obesity properties[1][4]. Pterostilbene blocks ROS production[3], also exhibits inhibitory activity against various free radicals such as DPPH, ABTS, hydroxyl, superoxide and hydrogen peroxide[4].
Chanoclavine
CONFIDENCE Claviceps purpurea sclerotia
Echothiophate
Echothiophate is only found in individuals that have used or taken this drug. It is a potent, long-acting irreversible cholinesterase inhibitor used as an ocular hypertensive in the treatment of glaucoma. Occasionally used for accomodative esotropia.Echothiophate Iodide is a long-acting cholinesterase inhibitor for topical use which enhances the effect of endogenously liberated acetylcholine in iris, ciliary muscle, and other parasympathetically innervated structures of the eye. Echothiophate iodide binds irreversibly to cholinesterase, and is long acting due to the slow rate of hydrolysis by cholinesterase. It causes miosis, increase in facility of outflow of aqueous humor, fall in intraocular pressure, and potentiation of accommodation. S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EB - Parasympathomimetics D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D008916 - Miotics C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist D004791 - Enzyme Inhibitors
Xenognosin A
Xenognosin A is found in common pea. Xenognosin A is isolated from gum tragacanth. Xenognosin A is a stress metabolite of pea (Pisum sativum Isolated from gum tragacanth. Stress metabolite of pea (Pisum sativum). Xenognosin A is found in pulses and common pea.
(1,2-diphenylethenyl)benzene
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists
7,12-Dimethylbenz[a]anthracene
7,12-Dimethylbenz[a]anthracene, also known as DMBA or 1,4-Dimethyl-2,3-benzphenanthrene, is classified as a phenanthrene or a Phenanthrene derivative. Phenanthrenes are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene D009676 - Noxae > D002273 - Carcinogens
Decarbamoylsaxitoxin
D009676 - Noxae > D011042 - Poisons > D008978 - Mollusk Venoms D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins Decarbamoylsaxitoxin is isolated from various shellfish. D009676 - Noxae > D011042 - Poisons > D014688 - Venoms Isolated from various shellfish
(-)-Fumigaclavine B
(-)-Fumigaclavine B is a mycotoxin from Aspergillus fumigatus and Rhizopus arrhizu
Pulcherriminic acid
A pyrazine N-oxide that is pyrazine-1,4-dioxide substituted at positions 2 and 5 by hydroxy groups and at positions 3 and 6 by isobutyl groups. Formed by oxidative aromatisation of cyclo(L-leucyl-L-leucyl).
Albonoursin
A member of the class of 2,5-diketopiperazines that is piperazine-2,5-dione in which the two hydrogen at position 3 and those at position 6 are replaced by benzylidene and isobutylidene groups (the 3Z,6Z-geoisomer).
dihydrochanoclavine-I aldehyde
An ergot alkaloid that is 1,3,4,5-tetrahydrobenzo[cd]indole which is substituted at position 4 by a methylamino group and at position 5 by a 2-methyl-3-oxopropyl group (the 4R,5R diastereoisomer).
(2S)-2-azanyl-4-[[(2R)-3-(1H-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid
2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol
2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol is found in alcoholic beverages. 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol is a constituent of Vitis vinifera cv. Gewurztraminer. Constituent of Vitis vinifera cv. Gewurztraminer. 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol is found in alcoholic beverages.
1-Methoxy-1-(2,4,5-trimethoxyphenyl)-2-propanol
1-Methoxy-1-(2,4,5-trimethoxyphenyl)-2-propanol is found in herbs and spices. 1-Methoxy-1-(2,4,5-trimethoxyphenyl)-2-propanol is a constituent of Acorus calamus (sweet flag)
4-methoxy-5-(3-phenylprop-2-en-1-yl)benzene-1,2-diol
Falcarindione
Isolated from roots of Carum carvi (caraway). Falcarindione is found in caraway, fats and oils, and herbs and spices. Falcarindione is found in caraway. Falcarindione is isolated from roots of Carum carvi (caraway).
7-Hydroxy-5-methoxyflavan
7-Hydroxy-5-methoxyflavan is isolated from the pith of sago palm. Isolated from the pith of sago palm
Threonylhistidine
Threonylhistidine is a dipeptide composed of threonine and histidine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
2-(3-Carboxy-3-aminopropyl)-L-histidine
2-(3-Carboxy-3-aminopropyl)-L-histidine is an unusual amino acid that results from the post-translational modification of histidine in certain proteins. In particular, it is a post-translational derivative of histidine that exists in protein synthesis elongation factor 2 (EF2) at the site of diphtheria toxin-catalyzed ADP-ribosylation of elongation factor 2. It is a precursor for diphthamide. This compound is a substrate for the enzyme diphthine synthase (EC 2.1.1.98). This enzyme catalyzes the chemical reaction: S-adenosyl-L-methionine + 2-(3-carboxy-3-aminopropyl)-L-histidine = S-adenosyl-L-homocysteine + 2-[3-carboxy-3-(methylammonio)propyl]-L-histidine. [HMDB] 2-(3-Carboxy-3-aminopropyl)-L-histidine is an unusual amino acid that results from the post-translational modification of histidine in certain proteins. In particular, it is a post-translational derivative of histidine that exists in protein synthesis elongation factor 2 (EF2) at the site of diphtheria toxin-catalyzed ADP-ribosylation of elongation factor 2. It is a precursor for diphthamide. This compound is a substrate for the enzyme diphthine synthase (EC 2.1.1.98). This enzyme catalyzes the chemical reaction: S-adenosyl-L-methionine + 2-(3-carboxy-3-aminopropyl)-L-histidine = S-adenosyl-L-homocysteine + 2-[3-carboxy-3-(methylammonio)propyl]-L-histidine.
Histidylthreonine
Histidylthreonine is a dipeptide composed of histidine and threonine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
5-Nonyltetrahydro-2-oxo-3-furancarboxylic acid
5-Nonyltetrahydro-2-oxo-3-furancarboxylic acid is found in milk and milk products. 5-Nonyltetrahydro-2-oxo-3-furancarboxylic acid is a possible latent butter aroma compoun
4-Methoxybenzyl phenylacetate
4-Methoxybenzyl phenylacetate is a flavouring agent for honey flavour Flavouring agent for honey flavours
1-(9H-Pyrido[3,4-b]indol-1-yl)-1,4-butanediol
1-(9H-Pyrido[3,4-b]indol-1-yl)-1,4-butanediol is maillard produced from xylose and tryptophan. Maillard production from xylose and tryptophan
Monomenthyl succinate
Monomenthyl succinate is a flavouring ingredient with a cooling, minty tast Flavouring ingredient with a cooling, minty taste
4'-O-Methylequol
4-O-Methylequol is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
(6R,8Z)-6-Hydroxy-3-oxotetradecenoic acid
(6R,8Z)-6-Hydroxy-3-oxotetradecenoic acid, also known as 3-oxo-6(R)-hydroxy-tetradec-8-cis-enoate, is considered to be a practically insoluble (in water) and relatively neutral molecule.
(6S,8Z)-6-Hydroxy-3-oxotetradecenoic acid
(6S,8Z)-6-Hydroxy-3-oxotetradecenoic acid, also known as 3-oxo-6(S)-hydroxy-tetradec-8Z-enoate, is considered to be a practically insoluble (in water) and relatively neutral molecule.
Nafagrel
C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D004791 - Enzyme Inhibitors
Parvaquone
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
Pterostilbene
Pterostilbene is a member of the class of compounds known as stilbenes. Stilbenes are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. Pterostilbene is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Pterostilbene can be found in common grape and grape wine, which makes pterostilbene a potential biomarker for the consumption of these food products. Pterostilbene is a stilbenoid chemically related to resveratrol. In plants, it serves a defensive phytoalexin role . Pterostilbene is a stilbenoid isolated from blueberries and Pterocarpus marsupium[1]. Shows anti-oxidant, anti-inflammatory, anti-carcinogenic, anti-diabetic and anti-obesity properties[1][4]. Pterostilbene blocks ROS production[3], also exhibits inhibitory activity against various free radicals such as DPPH, ABTS, hydroxyl, superoxide and hydrogen peroxide[4]. Pterostilbene is a stilbenoid isolated from blueberries and Pterocarpus marsupium[1]. Shows anti-oxidant, anti-inflammatory, anti-carcinogenic, anti-diabetic and anti-obesity properties[1][4]. Pterostilbene blocks ROS production[3], also exhibits inhibitory activity against various free radicals such as DPPH, ABTS, hydroxyl, superoxide and hydrogen peroxide[4].
Pterostilbene
Pterostilbene is a stilbenol that consists of trans-stilbene bearing a hydroxy group at position 4 as well as two methoxy substituents at positions 3 and 5. It has a role as an antioxidant, an antineoplastic agent, a neurotransmitter, a plant metabolite, an apoptosis inducer, a neuroprotective agent, an anti-inflammatory agent, a radical scavenger and a hypoglycemic agent. It is a stilbenol, a member of methoxybenzenes and a diether. It derives from a hydride of a trans-stilbene. Pterostilbene is a natural product found in Vitis rupestris, Pterocarpus marsupium, and other organisms with data available. Pterostilbene is a naturally-derived stilbenoid structurally related to resveratrol, with potential antioxidant, anti-inflammatory, pro-apoptotic, antineoplastic and cytoprotective activities. Upon administration, pterostilbene exerts its anti-oxidant activity by scavenging reactive oxygen species (ROS), thereby preventing oxidative stress and ROS-induced cell damage. It may also activate the nuclear factor erythroid 2-related factor 2 (Nrf2)-mediated pathway and increase the expression of various antioxidant enzymes, such as superoxide dismutase (SOD). In addition, pterostilbene is able to inhibit inflammation by reducing the expression of various inflammatory mediators, such as interleukin (IL) 1beta, tumor necrosis factor alpha (TNF-a), inducible nitric oxide synthase (iNOS), cyclooxygenases (COX), and nuclear factor kappa B (NF-kB). It also inhibits or prevents the activation of many signaling pathways involved in carcinogenesis, and increases expression of various tumor suppressor genes while decreasing expression of certain tumor promoting genes. It also directly induces apoptosis in tumor cells. See also: Pterocarpus marsupium wood (part of). A stilbenol that consists of trans-stilbene bearing a hydroxy group at position 4 as well as two methoxy substituents at positions 3 and 5. C26170 - Protective Agent > C275 - Antioxidant Pterostilbene is a stilbenoid isolated from blueberries and Pterocarpus marsupium[1]. Shows anti-oxidant, anti-inflammatory, anti-carcinogenic, anti-diabetic and anti-obesity properties[1][4]. Pterostilbene blocks ROS production[3], also exhibits inhibitory activity against various free radicals such as DPPH, ABTS, hydroxyl, superoxide and hydrogen peroxide[4]. Pterostilbene is a stilbenoid isolated from blueberries and Pterocarpus marsupium[1]. Shows anti-oxidant, anti-inflammatory, anti-carcinogenic, anti-diabetic and anti-obesity properties[1][4]. Pterostilbene blocks ROS production[3], also exhibits inhibitory activity against various free radicals such as DPPH, ABTS, hydroxyl, superoxide and hydrogen peroxide[4].
Obtusafuran
A member of the class of 1-benzofurans that is 2,3-dihydro-1-benzofuran substituted by a hydroxy group at position 5, a methoxy group at position 6, a methyl group at position 3 and a phenyl group at position 2. Isolated from Dalbergia louveli, it exhibits antiplasmodial activity.
1,4-DIOXACYCLOHEXADECANE-5,16-DIONE
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1087
2-Methyl-1-(4-methylamino-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl)-prop-2-en-1-ol
17-Hydroxy-heptadeca-7t,9t,15t-trien-11,13-diin-4-on|17-hydroxy-heptadeca-7t,9t,15t-triene-11,13-diyn-4-one|Bupleuronol
1-(2,4,5-Trimethoxyphenyl)-1-hydroxy-2-methoxypropane|2,2,4,5,-Tetra-Me ether-1-(2,4,5-Trihydroxyphenyl)-1,2-propanediol
(+-)-dehydrofalcarinolone|8-hydroxy-heptadeca-1,9c,16-triene-4,6-diyn-3-one
1,4-Naphthalenedione, 2-methoxy-3-(3-methyl-2-butenyl)-
1beta,2beta,9alpha-trihydroxy-beta-dihydroagarofuran
8,N2,N6,N6-tetramethyl-1H-cyclohepta[1,2-d;4,5-d]diimidazole-2,6-diamine|Epizoanthoxanthin A
3-Ac-4,6-Tetradecadiene-8,10,12-triyne-1,3-diol,|trans,trans-Tetradecatriin-(8.10.12)-dien-(4.6)-diol-(1.3)-3-monoacetat
Bis-(2-methoxy-phenyl)-acetaldehyd|bis-(2-methoxy-phenyl)-acetaldehyde
6-butyl-6-ethyl-4-ethylidene-1 ,2-dioxan-3-acetic acid
6E,8E,14E-Hexadecatrien-10,12-diinsaeure-methylester|Me ester-(all-E)-6,8,14-Hexadecatetrien-10,12-diynoic acid
(2E)-6-butoxy-2-hydroxymethyl-6-methyl-2,7-octadienoic acid
(Z,S)-11-(2-oxopropylidene)-2,3,11,11a-tetrahydro-1H-benzo[e]pyrrolo-[1,2-a][1,4]diazepin-5(10H)-one|fuligocandin A
Phenol, 3-methoxy-5-[(1E)-2-(4-methoxyphenyl)ethenyl]-
(S)-6-[(S)-1-Acetoxypentyl]-5,6-dihydro-4-methoxy-2H-pyran-2-one
acide (methyl-3 hydroxy-3 butyl)-5 propyl-5 barbiturique
6,8-dimethyl-ergolin-8-ol|9,10-dihydro-setoclavine|Dihydro-setoclavin-I|Dihydrosetoclavine
2,6-diamino-2,3,4,6-tetradeoxy-glycero-hex-4-enopyranose-Et glycoside, 2,6-di-N-Ac
calostomal|trans-16-oxohexadeca-2,4,6,8,10,12,14-heptanoic acid
(E)-3-benzylidenehexahydro-2-methylpyrrolo[1,2-a]pyrazine-1,4-dione
(2RS,4SR)-6-(3-hydroxy-4-methoxyphenyl)hexane-1,2,4-triol|debilitriol
1-phenyl-3-(4,6-dihydroxy-2-methoxyphenyl)propene|dalparvinene B
4-butoxy-6-(1-hydroxypentyl)-5,6-dihydro-2H-pyran-2-one
6,9-Dimethyl-7-hydroxyergolin|6,9-dimethyl-ergolin-7-ol
(1,8E,12E,14Z)-heptadecatetraene-4,6-diyne-3,11-diol
1,4,N8,N8-tetramethyl-1H-cyclohepta[1,2-d;3,4-d]diimidazole-2,8-diamine|Trimethuylpseudozoanthooxanthin A|zoanthoxanthin 4
(all-E)-17-Hydroxy-5,7,9-heptadecatriene-11,13-diyn-4-one|17-Hydroxy-heptadeca-5t,7t,9t-trien-11,13-diin-4-on|17-hydroxy-heptadeca-5t,7t,9t-triene-11,13-diyn-4-one
(S)-4,6,9-trimethyl-5,6,7,8-tetrahydrophenanthrene-1,2-diol|henryin A
(-)-erythro-1,5-diphenylpentane-1,3-diol|(1S,3R)-1,5-Diphenyl-1,3-pentanediol
Pheniramine-N-oxide
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3254 CONFIDENCE standard compound; INTERNAL_ID 2076
PHE_257.1648_10.4
CONFIDENCE Transformation product with Reference Standard (Level 1); INTERNAL_ID 1502
alpha-Dihydrolysergol
SubCategory_DNP: : Alkaloids derived from tryptophan, Ergot alkaloids, Clavine alkaloid
(E)-2-methyl-4-((3aS)-1-methyl-2,3,8,8a-tetrahydropyrrolo[2,3-b]indol-3a(1H)-yl)but-2-enal
THR-His
A dipeptide composed of L-threonine and L-histidine joined by a peptide linkage.
fumigaclavine B
An ergot alkaloid produced by the fungus Aspergillus fumigatus that consists of ergoline substituted by two methyl groups at the 6 and 8beta positions, and by a hydroxy group at the 9beta position.
2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propane-1,3-diol
ethyl 1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
tert-Butyl 3-(cyanomethyl)-1H-indole-1-carboxylate
N-(3-AMINOMETHYL-PHENYL)-2-(4-HYDROXY-PHENYL)-ACETAMIDE
5,5,5-Trifluoro-2-{[(1R)-1-phenylethyl]amino}pentanenitrile
4-(4-methylpiperazin-1-yl)quinazoline-6-carbaldehyde
6-(3-hydroxy-2,2-dimethylpropoxy)carbonylcyclohex-3-ene-1-carboxylic acid
tert-butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
(2S,4S)-1-(tert-Butoxycarbonyl)-4-azidopyrrolidine-2-carboxylic acid
2-Amino-7-benzyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
2-(3-Hydroxyazetidin-3-yl)piperidine-1-carboxylic acid tert-butyl ester
Ethoxazene
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent
[2,6-Dimethyl-4-(phenylmethoxy)phenyl]boronic acid
N-(Trimethylsilyl)-4-[(trimethylsilyl)oxy]-1,3,5-triazin-2-amine
6-Amino-2-Boc-2-azaspiro[3.3]heptane-6-carboxylic acid
4-(2-(METHYL(PYRIDIN-2-YL)AMINO)ETHOXY)BENZALDEHYDE
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline
Dimethyl-bisphenol A
Dimethyl-bisphenol A (DMBPA) is a potent HIF-1α inhibitor. Dimethyl-bisphenol A can decrease Vegfa mRNA expression[1].
4-(4-Methyl-4H-1,2,4-triazol-3-yl)-1-(phenylmethyl)piperidine
4-[(4-aminophenyl)diazenyl]-2-methoxy-5-methylaniline
(S)-tert-Butyl 2-(tert-butyl)-3-methyl-4-oxoimidazolidine-1-carboxylate
tert-butyl 4-(2-methylpropanoyl)piperazine-1-carboxylate
N-[4-(DIMETHYLAMINO)BENZYL]-N-(4-METHOXYPHENYL)AMINE
ethyl 3-(4-hydroxypiperidin-1-yl)-3-methylpyrrolidine-1-carboxylate
POLY(ETHYLENE-CO-METHYL ACRYLATE-CO-GLYCIDYL METHACRYLATE)
Prilocaine hydrochloride
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
Methanone,1,1-(1,2-diazenediyl)bis[1-(4-morpholinyl)-
Carbamic acid,N-[3-(phenylamino)phenyl]-, ethyl ester
tert-Butyl 4-[acetyl(Methyl)amino]piperidine-1-carboxylate
(3aR,4S,5R,6aS)-Hexahydro-4-(hydroxymethyl)-5-[(tetrahydro-2H-pyran-2-yl)oxy]-2H-cyclopenta[b]furan-2-one
1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID, 5-BROMO-1-(PHENYLSULFONYL)-
TERT-BUTYL 7-(CYANOMETHYL)-1H-INDOLE-1-CARBOXYLATE
(R)-(+)-1-BOC-2-TERT-BUTYL-3-METHYL-4-IMIDAZOLIDINONE
tert-butyl 3-amino-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
3-Morpholin-4-yl-pyrrolidine-1-carboxylic acid tert-butyl ester
tert-butyl 2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,8-naphthyridine
tert-Butyl 4-oxa-1,9-diazaspiro[5.5]undecane-9-carboxylate
Tert-butyl (1-(methoxy(methyl)amino)-1-oxopent-4-yn-2-yl)carbamate
(alphaR)-alpha-[[[2-(4-Aminophenyl)ethyl]amino]methyl]-benzenemethanol
(3ξ,4E,6S)-6-Isopropyl-3-methyl-3-hydroxy-9-oxo-4-decenoic acid
4-(4-AMino-3,5-diMethylphenoxy)-2,6-diMethylaniline
1,3-Dioxane, 5-butyl-2-(3,5-difluorophenyl)-, trans-
2-ETHYL-1,2,3,4-TETRAHYDRO-BENZO[B][1,6]NAPHTHYRIDINE-10-CARBOXYLIC ACID
1H-Indazole-5-carboxamide,N-(1R,3R,4S)-1-azabicyclo[2.2.1]hept-3-yl-(9CI)
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline
2-AMINO-5,6,7,8-TETRAHYDRO-6-(PHENYLMETHYL)PYRIDO[4,3-D]PYRIMIDIN-4(3H)-ONE
3-Dimethylaminomethyl-1,2,3,4-tetrahydro-9-methylcarbazol-4-one
1H-Pyrrolo[2,3-c]pyridine-5-carboxamide,N-2-azabicyclo[2.2.1]hept-6-yl-(9CI)
3-[(Dimethylamino)methyl]-9-methyl-1,2,3,9-tetrahydro-4H-carbazol-4-one
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]azetidine-3-carboxylic acid
3-(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)-3H-IMIDAZOLE-4-CARBOXYLIC ACID METHYL ESTER
2-[(4-methylpiperazin-1-yl)methyl]quinolin-6-amine
tert-butyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate
(E)-3-(dimethylamino)-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)prop-2-en-1-one
4-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline
N-[(2-methoxyphenyl)methyl]-7H-purin-1-ium-6-amine
(2S)-2-amino-4-{[(1R)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]amino}butanoate
(2S)-2-amino-4-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]amino}butanoate
(2E,4E,6E,8E,10E,12E)-2,6,11-trimethyltetradeca-2,4,6,8,10,12-hexaenedial
[1-(3-Chlorophenyl)-1-oxopropan-2-yl]-(1-hydroxy-2-methylpropan-2-yl)azanium
(2E,4E,6E,8E,10E,12E)-2,7,11-Trimethyl-2,4,6,8,10,12-tetradecahexenedial
2-azaniumyl-4-{5-[(2S)-2-azaniumyl-2-carboxylatoethyl]-1H-imidazol-2-yl}butanoate
N-ethyl-1,2-dimethyl-6-methylimino-N-phenylpyrimidin-4-amine
D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents
N,N-dimethyl-1-[3-(1-methyl-3-indolyl)-1,2,4-oxadiazol-5-yl]methanamine
(3-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-2-yl)-phenylmethanone
(3,5-Dimethyl-[1,2,4]triazol-4-yl)-[3-(2-methoxy-phenyl)-allylidene]-amine
2-[(2-methylphenyl)amino]-N-(1H-pyrrol-2-ylmethylene)acetohydrazide
5-amino-4-(1H-benzimidazol-2-yl)-1-propan-2-yl-2H-pyrrol-3-one
2-Allyl-6-{[(E)-3,5-dimethyl-[1,2,4]triazol-4-ylimino]-methyl}-phenol
1-(2,6-dimethyl-1H-indol-3-yl)-2-(1-pyrrolidinyl)ethanone
L-pyrrolysinium
An alpha-amino-acid cation that is the conjugate acid of L-pyrrolysine, obtained by deprotonation of the alpha-amino group.
N-{1-[(2-methylphenyl)amino]-1-oxopropan-2-yl}propan-1-aminium chloride
N-[(2R,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]cyclobutanecarboxamide
N-[(2S,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]cyclobutanecarboxamide
N-[(2S,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]cyclobutanecarboxamide
N-[(2S,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]cyclobutanecarboxamide
(E)-2-(Hydroxymethyl)-3-[(1S,2R,5S)-5-(hydroxymethyl)-2-propan-2-ylcyclohexyl]prop-2-enoic acid
2-[(3S)-3-amino-3-carboxypropyl]-L-histidine
A 2-(3-amino-3-carboxypropyl)-L-histidine in which position 3 on the side-chain has S-configuration.
(1R)-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium
(1S)-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium
(2S)-2-azaniumyl-4-{5-[(2S)-2-azaniumyl-2-carboxylatoethyl]-1H-imidazol-2-yl}butanoate
(Z,2R,3R,9S)-2-ethyl-3-hydroxy-9-methyl-8-oxoundec-5-enoic acid
Ethyl 4-amino-1-methyl-5-oxo-2H-pyrrole-3-carboxylate, TMS derivative
1-Trideuteromethyl-4-(5-methoxycarbonylhexanoyl)piperazine
2-Methyl-6-oxo-6-(4-methylpiperazino)hexanoic acid methyl ester
[3-carboxy-2-[(2E,4E)-hexa-2,4-dienoyl]oxypropyl]-trimethylazanium
Dimethyl 2,5-dimethylperhydropyrrolo(3,4-C)pyrrole-3A,6A-dicarboxylate
7,12-Dimethylbenz[a]anthracene
D009676 - Noxae > D002273 - Carcinogens
Echothiophate
S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EB - Parasympathomimetics D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D008916 - Miotics C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist D004791 - Enzyme Inhibitors
Decarbamoylsaxitoxin
A pyrrolopurine that is 2,6-diiminodecahydropyrrolo[1,2-c]purine carrying an additional hydroxymethyl substituent at position 4 as well as two hydroxy substituents at position 10. A toxin that is isolated from marine dinoflagellates and cyanobacteria and is known to cause paralytic shellfish poisoning. D009676 - Noxae > D011042 - Poisons > D008978 - Mollusk Venoms D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins D009676 - Noxae > D011042 - Poisons > D014688 - Venoms
tetradecanedioate(2-)
A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of tetradecanedioic acid; major species at pH 7.3.
TRIPHENYLETHYLENE
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists
2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol
N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine oxide
2-[(3S)-3-amino-3-carboxypropyl]-L-histidine dizwitterion
A 2-(3-amino-3-carboxypropyl)-L-histidine dizwitterion arising from transfer of two protons from the carboxy to the amino groups of 2-[(3S)-3-amino-3-carboxypropyl]-L-histidine.
beta-aminopropionitrile hemifumarate
A fumarate salt prepared from beta-aminopropionitrile by reaction of one molecule of fumaric acid for every two molecules of beta-aminopropionitrile.
2-(3-amino-3-carboxypropyl)-L-histidine dizwitterion
A dizwitterionic form of 2-(3-amino-3-carboxypropyl)-L-histidine arising from transfer of two protons from the carboxy to the amino groups; major species at pH 7.3.
Chanoclavine-I
An organic tricyclic compound that is 1,3,4,5-tetrahydrobenzo[cd]indole which is substituted at position 4 by a methylamino group and at position 5 by a 3-hydroxy-2-methylprop-1-en-1-yl group (the 4R,5R,E diastereoisomer). It is a precursor of the tetracyclic ergolines agroclavine, elymoclavine and lysergic acid amide.
1-[5-(1h-indol-3-yl)-1,3-oxazol-2-yl]-2-methylpropan-2-ol
(4r,6s,12r)-4-hydroxy-6-methoxy-12-methyl-1-oxacyclododec-9-ene-2,8-dione
6-[(1r,2r)-1,2-dihydroxyheptyl]-4-methoxypyran-2-one
n,n,9-trimethyl-12-(methylimino)-3,5,11,13-tetraazatricyclo[8.3.0.0²,⁶]trideca-1,3,5,7,9-pentaen-4-amine
(1r,9r,13s)-13-ethenyl-11-methyl-1-(methylamino)-6-azatricyclo[7.3.1.0²,⁷]trideca-2,4,6,10-tetraen-5-ol
(6z)-3-methyl-6-(3-methylbut-2-en-1-ylidene)-4,5-dihydro-1,3-benzodiazocin-7-ol
4-hydroxy-6-methoxy-12-methyl-1-oxacyclododec-9-ene-2,8-dione
6,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecane-4,5,7-triol
(9s,10r)-16-methyl-6,14-diazatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,16-tetraen-5-ol
(3e,5s,8s,14s)-5,8-dihydroxy-14-methyl-1-oxacyclotetradec-3-en-2-one
(1s,9s,10s)-16-methyl-6,14-diazatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,16-tetraen-5-ol
2-[(1-hydroxyethylidene)amino]-4-methyl-n-(3-methyl-1-oxobutan-2-yl)pentanimidic acid
(1s,2s)-1-methoxy-1-(2,4,5-trimethoxyphenyl)propan-2-ol
2,8,10-heptadecatriene-4,6-diyne-1,14-diol; (2z,8e,10e,14ξ)-form,14-ketone
{"Ingredient_id": "HBIN005043","Ingredient_name": "2,8,10-heptadecatriene-4,6-diyne-1,14-diol; (2z,8e,10e,14\u03be)-form,14-ketone","Alias": "NA","Ingredient_formula": "C17H20O2","Ingredient_Smile": "NA","Ingredient_weight": "256.34","OB_score": "NA","CAS_id": "111128-28-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8802","PubChem_id": "NA","DrugBank_id": "NA"}
benzoicacid,4-isopropenylcyclo-hexenylmethylester
{"Ingredient_id": "HBIN017793","Ingredient_name": "benzoicacid,4-isopropenylcyclo-hexenylmethylester","Alias": "NA","Ingredient_formula": "C17H20O2","Ingredient_Smile": "CC(=C)C1CCC(=CC1)COC(=O)C2=CC=CC=C2","Ingredient_weight": "256.34 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "43041","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "570805","DrugBank_id": "NA"}
