Exact Mass: 236.126
Exact Mass Matches: 236.126
Found 500 metabolites which its exact mass value is equals to given mass value 236.126,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
CARBETAMIDE
CONFIDENCE standard compound; INTERNAL_ID 383; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3778; ORIGINAL_PRECURSOR_SCAN_NO 3775 CONFIDENCE standard compound; INTERNAL_ID 383; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3852; ORIGINAL_PRECURSOR_SCAN_NO 3849 CONFIDENCE standard compound; INTERNAL_ID 383; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3781; ORIGINAL_PRECURSOR_SCAN_NO 3776 CONFIDENCE standard compound; INTERNAL_ID 383; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7762; ORIGINAL_PRECURSOR_SCAN_NO 7757 DATA_PROCESSING MERGING RMBmix ver. 0.2.7; CONFIDENCE standard compound; INTERNAL_ID 383; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7762; ORIGINAL_PRECURSOR_SCAN_NO 7757 CONFIDENCE standard compound; INTERNAL_ID 383; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7771; ORIGINAL_PRECURSOR_SCAN_NO 7769 CONFIDENCE standard compound; INTERNAL_ID 383; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7800; ORIGINAL_PRECURSOR_SCAN_NO 7797 CONFIDENCE standard compound; INTERNAL_ID 383; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7804; ORIGINAL_PRECURSOR_SCAN_NO 7802 CONFIDENCE standard compound; INTERNAL_ID 383; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7791; ORIGINAL_PRECURSOR_SCAN_NO 7787 CONFIDENCE standard compound; INTERNAL_ID 383; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7811; ORIGINAL_PRECURSOR_SCAN_NO 7809 ORIGINAL_ACQUISITION_NO 7811; CONFIDENCE standard compound; INTERNAL_ID 383; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 7809 CONFIDENCE standard compound; EAWAG_UCHEM_ID 136
Hexobarbital
Hexobarbital is only found in individuals that have used or taken this drug. It is a barbiturate that is effective as a hypnotic and sedative. [PubChem]Hexobarbital binds at a distinct binding site associated with a Cl- ionopore at the GABA-A receptor, increasing the duration of time for which the Cl- ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general > N01AF - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators
OCTAMETHYLTRISILOXANE
P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03A - Ectoparasiticides, incl. scabicides D001697 - Biomedical and Dental Materials
Heptyl 4-hydroxybenzoate
Heptyl 4-hydroxybenzoate, also known as heptylparaben or nipaheptyl, belongs to the class of organic compounds known as p-hydroxybenzoic acid alkyl esters. These are aromatic compounds containing a benzoic acid, which is esterified with an alkyl group and para-substituted with a hydroxyl group. Heptyl 4-hydroxybenzoate is used as a food additive ("EAFUS: Everything Added to Food in the United States. "). Heptyl 4-hydroxybenzoate is a potentially toxic compound. No indication of carcinogenicity to humans (not listed by IARC). These are compounds containing an hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxylic acid. It is used as a food additive . CONFIDENCE standard compound; INTERNAL_ID 575; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5546; ORIGINAL_PRECURSOR_SCAN_NO 5541 CONFIDENCE standard compound; INTERNAL_ID 575; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5537; ORIGINAL_PRECURSOR_SCAN_NO 5532 CONFIDENCE standard compound; INTERNAL_ID 575; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5548; ORIGINAL_PRECURSOR_SCAN_NO 5545 CONFIDENCE standard compound; INTERNAL_ID 575; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5514; ORIGINAL_PRECURSOR_SCAN_NO 5512 CONFIDENCE standard compound; INTERNAL_ID 575; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5543; ORIGINAL_PRECURSOR_SCAN_NO 5539 CONFIDENCE standard compound; INTERNAL_ID 575; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5543; ORIGINAL_PRECURSOR_SCAN_NO 5540 D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens It is used as a food additive .
Alanylphenylalanine
Alanylphenylalanine is a dipeptide composed of alanine and phenylalanine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Eremopetasidione
Eremopetasidione is found in green vegetables. Eremopetasidione is a constituent of Petasites japonicus (sweet coltsfoot). Constituent of Petasites japonicus (sweet coltsfoot). Eremopetasidione is found in green vegetables.
Phenylalanylalanine
Phenylalanylalanine is a dipeptide composed of phenylalanine and alanine. 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. Phenylalanylalanine (H-Phe-Ala-OH) is a dipeptide composed of phenylalanine and alanine. Phenylalanylalanine is an incomplete breakdown product of protein digestion or protein catabolism[1].
O-Desmethyl-lacosamide
O-Desmethyl-lacosamide is a metabolite of lacosamide. Lacosamide (formerly known as erlosamide) is a medication developed by UCB for the adjunctive treatment of partial-onset seizures and diabetic neuropathic pain marketed under the trade name Vimpat. The U.S. Food and Drug Administration accepted UCBs New Drug Application for lacosamide as of November 29, 2007, beginning the approval process for the drug. (Wikipedia)
N-Acetyl-5-methoxykynuramine
N-Acetyl-5-methoxykynuramine (AMK) is a melatonin metabolite. Its direct precursor, acetyl-N-formyl-5-methoxykynurenamine (AFMK), is a product of melatonin metabolization in the brain (PMID: 23963910). AMK is a potent scavenger of several reactive oxygen species (ROS) such as hydroxyl, peroxyl, and carbonate radicals as well as the non-radical singlet oxygen (PMID: 14599344, 18643875).
Cyclobarbital
N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
Oxyglutinosone
Oxyglutinosone is a member of the class of compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. Oxyglutinosone is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Oxyglutinosone can be found in potato, which makes oxyglutinosone a potential biomarker for the consumption of this food product.
Oxyglutinosone
2-[4-Methyl-2-(2-methylpropoxy)phenyl]-oxiranemethanol
3-morpholino-4-tetrahydro-1h-pyrrol-1-ylcyclobut-3-ene-1,2-dione
9beta-hydroxy-8-oxo-12-noreremophil-6-en-11-one|rel-(1R,4aS,5S)-3-acetyl-4a,5,6,7,8,8a-hexahydro-1-hydroxy-4a,5-dimethylnaphthalen-2(1H)-one
Dimethyl-trans-3-octenyl-phosphat|phosphoric acid dimethyl ester oct-3t-enyl ester
6alpha-acetyl-4beta,5beta-dimethyl-1(10)-ene-2alpha-hydroxy-7-oxodecalin|laevinol E
4-(1-hydroxy-4,7-dimethyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-3-yl)but-3-en-2-one
(1beta,11?鈥?-form-1,11-Dihydroxy-13-nor-6,9-eremophiladien-8-one|1beta-hydroxy-6,9-diene-8-oxo-11-nor-11-hydroxyeremophilane
1-(3-(1-Hydroxy-3-methylbutyl)-4-methoxyphenyl)ethan-1-one
(3aR,5aR,7S,9aS,9bR)-3a,5a,7,8,9,9a,9b-octahydro-3a,7-dihydroxy-7,9b-dimethhylnaphtho[1,2-c]furan-1(3H)-one|(?)-oblongolide C|oblongolide C
3-hydroxy-4-(3-methylbut-2-enyloxy)benzoic acid methyl ester
3beta,4alpha,9-trihydroxy-14-norcadina-5,7,9-triene|oxyphyllenotriol A
1,5-epidioxy-14-norcarot-2-en-3-one|1,5-epidioxy-14-norcarot-2-en-4-one
1beta-hydroxyl-2-noreudesm-4(15)-en-5alpha,6beta,7alpha,11alphaH-12,6-olide|ajaniaolide A
11beta-hydroxyl-3-oxo-4(5),6(7)-diene-eudesman-12-ol
(S)-dihydrodemethoxywutaiensol|3-[(2S)-2,3-dihydro-2-(2-hydroxypropan-2-yl)-1-benzofuran-5-yl]propan-1-ol
(3R,4S)-6,8-dihydroxy-1,1-dimethyl-3,4,5-trimethylisochroman
(5R,7S,10S)-5-hydroxy-13-noreudesma-3-en-2,11-dione
Isocoumarin, 3,4-dihydro-6,8-dihydroxy-3,4,5,7-tetramethyl-
6-hydroxyeupatoriochromene B|7,8-Di-Me ether-6,7,8-Trihydroxy-2,2-dimethyl-2H-1-benzopyran
2-(4-methoxyphenyl)-ethylisovalerate|2-<4-methoxyphenyl>-ethylisovalerate
(3aS,5aR,7S,9aS,9bR)-7-(hydroxymethyl)-9b-methyl-3a,5a,6,7,8,9,9a,9b-octahydronaphtho[1,2-c]furan-1(9bH)-one|oblongolide F
(E)-3-<1-(1,1-dimethyl-3-oxobutyl)imidazol-4-yl>propenoic acid|(E)-3-[1-(1,1-dimethyl-3-oxobutyl)imidazol-4-yl]propenoic acid|N1-(1,1-Dimethyl-3-oxobutyl)-(E)-Urocanic acid
2-ethyl-5,7-dimethoxy-chroman-4-one|2-ethyl-5,7-dimethoxychromanone
(E)-form-12-Tetradecene-8,10-diyne-1,3,14-triol,|Tetradeca-2t-en-4,6-diin-1,12,14-triol
12-Tetradecene-8,10-diyne-1,4,5-triol|tetradeca-12t-ene-8,10-diyne-1,4,5-triol
(3aS,5aR,7R,9aS,9bR)-3a,5a,6,7,8,9,9a,9b-octahydro-7-hydroxy-7,9b-dimethylnaphtho[1,2-c]furan-1(3H)-one|oblongolide D
2-(1-hydroxyisopropyl)-5-(1,2-dihydroxyethyl)-benzofuran|2-<1-hydroxyisopropyl>-5-<1,2-dihydroxyethyl>-benzofuran
1-n-butyl-1beta-D-fructopyranoside|1-O-butyl-beta-D-fructopyranoside
(3E)-dec-3-en-1-yl sulfate|ammonium dec-3-enyl sulfate
3-Methoxy-4-acetyl-5-methylbenzoic acid ethyl ester
3R-(2R-hydroxypropyl)-8-hydroxyl-7-methyl-3,4-dihydroisocoumarine
3-hydroxy-5-(2-isopentenyl)-4-methoxybenzoic acid|4-Me ether-3,4-Dihydroxy-5-(3-methyl-butenyl)-benzoic acid
(E)-form-6-Tetradecene-8,10-diyne-1,5,12-triol|tetradec-6t-ene-8,10-diyne-1,5,12-triol|Tetradec-trans-6-en-8.10-diin-1.5.12-triol
1-[3-(1-hydroxy-3-methylbutyl)-4-methoxyphenyl]ethanone
Butyl fructofuranoside
Butyl fructofuranoside is a natural product found in Ophiopogon japonicus, Dioscorea japonica, and Cynomorium songaricum with data available.
Dexmedetomidine hydrochloride
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics Dexmedetomidine hydrochloride ((+)-Medetomidine hydrochloride) is a potent, selective and orally active agonist of α2-adrenoceptor, with a Ki of 1.08 nM. Dexmedetomidine hydrochloride shows 1620-fold selectivity against α1-adrenoceptor. Dexmedetomidine hydrochloride exhibits anxiolysis, sedation, and modest analgesia effects[1][2][3].
Medetomidine HCl
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics Medetomidine hydrochloride is an orally active α2-adrenoceptor agonist (Ki: 1.08 nM). Medetomidine hydrochloride has sedative and analgesic effects. Medetomidine hydrochloride can cause peripheral vasoconstriction through the activation of α2 adrenoceptors on blood vessels[1][2][3][4].
Ala-Phe
A dipeptide formed from L-alanyl and L-phenylalanine residues. CONFIDENCE standard compound; INTERNAL_ID 165
Phe-Ala
A dipeptide formed from L-phenylalanine and L-alanine residues. Phenylalanylalanine (H-Phe-Ala-OH) is a dipeptide composed of phenylalanine and alanine. Phenylalanylalanine is an incomplete breakdown product of protein digestion or protein catabolism[1].
12,13-Dimethyl-5,14-dioxabicyclo[9.2.1]-tetradeca-1(13),11-dien-4-one
2,6-bis(2-hydroxyethylamino)-4-methylpyridine-3-carbonitrile
5-Methyl-7-phenyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile
2-(3-fluoro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Tetrahydrozoline hydrochloride
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D019999 - Pharmaceutical Solutions > D009883 - Ophthalmic Solutions D019141 - Respiratory System Agents > D014663 - Nasal Decongestants D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents Tetrahydrozoline hydrochloride (Tetryzoline hydrochloride), a derivative of imidazoline, is an α-adrenergic agonist that causes vasoconstriction. Tetrahydrozoline hydrochloride is widely used for the research of nasal congestion and conjunctival congestion[1][2].
tert-butyl 2-methylpiperazine-1-carboxylate,hydrochloride
N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide
4-(2,2-DIMETHYL-PROPIONYLAMINO)-NICOTINIC ACID METHYL ESTER
1(2H)-Naphthalenone, 3,4-dihydro-7-(phenylmethyl)-
tert-Butyl 2-amino-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
4-(Piperidin-4-ylmethyl)benzonitrile hydrochloride
TERT-BUTYL 3-(AMINOMETHYL)PYRROLIDINE-1-CARBOXYLATE HYDROCHLORIDE
(11R,12R)-9,10-DIHYDRO-9,10-ETHANOANTHRACENE-11,12-DIAMINE
2-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanoic acid
tert-butyl N-[(E)-(3-hydroxyphenyl)methylideneamino]carbamate
5,6,7,8-TETRAHYDRO-3H-SPIRO[CYCLOHEXANE-1,4-QUINAZOLINE]-2-THIOL
tert-Butyl 4-amino-3,3-difluoropiperidine-1-carboxylate
tert-butyl 6,6-difluoro-1,4-diazepane-1-carboxylate
{4-[(Tetrahydro-2H-pyran-2-yloxy)methyl]phenyl}boronic acid
2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-imidazole
(S)-TERT-BUTYL 3-(METHYLAMINO)PYRROLIDINE-1-CARBOXYLATE HYDROCHLORIDE
(2R,3R,5S,6S)-5,6-Bis(hydroxyMethyl)-2,3-diMethoxy-2,3-diMethyl-1,4-dioxane
1-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE-3-CARBOXALDEHYDE
tert-butyl N-[2-(azetidin-3-yl)ethyl]carbamate hydrochloride
tert-Butyl (3-aminocyclopentyl)carbamate hydrochloride
1-Pyrrolidinecarboxylic acid, 4-amino-2-(difluoromethyl)-, 1,1-d
7-[(4-fluorophenyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane
Kondensationsprodukte von Dicarbonsuren mit mehrwertigen aliphatischen Alkoholen verestert
5-amino-2-morpholin-4-yl-benzoic acid methyl ester
(2S,3S,5R,6R)-5,6-Bis(hydroxyMethyl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane
3-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydropyrazol-5-amine
N-(oxolan-2-ylmethyl)-2-(propan-2-ylamino)acetamide,hydrochloride
(9R,10R,11S,12S)-9,10-dihydro-9,10-ethanoanthracene-11,12-diamine
1-METHYL-4-PHENYLPIPERIDINE-4-CARBONITRILE HYDROCHLORIDE
6-(CHLOROMETHYL)-1,1,4,4-TETRAMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENE
1-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-ethanone
(R)-tert-Butyl (pyrrolidin-3-ylmethyl)carbamate hydrochloride
(S)-tert-Butyl 2-(aminomethyl)pyrrolidine-1-carboxylate hydrochloride
(S)-tert-Butyl (pyrrolidin-2-ylmethyl)carbamate hydrochloride
(S)-tert-Butyl (pyrrolidin-3-ylmethyl)carbamate hydrochloride
2-(2,2-Dimethyl-propionylamino)-isonicotinic acid methyl ester
N-[4-(hydrazinecarbonyl)pyridin-2-yl]-2,2-dimethylpropanamide
2-(4,4-Difluoropiperidin-1-yl)-2-phenylacetonitrile
(3-((2-(DIMETHYLAMINO)ETHYL)CARBAMOYL)PHENYL)BORONIC ACID
1-((2-(2-methoxyethoxy)ethoxy)methyl)-4-vinylbenzene
8-(2-Acetyloxiran-2-yl)-6,6-dimethylocta-3,4-dien-2-one
tert-Butyl ((3-methylazetidin-3-yl)methyl)carbamate hydrochloride
alpha-Oxotricyclo[3.3.1.1(3,7)]decane-1-acetic acid ethyl ester
4-Amino-1-piperidinecarboxylic acid tert-butyl ester hydrochloride
N-((6-CHLORO-1H-INDOL-3-YL)METHYL)-N-ETHYLETHANAMINE
5,6,7,8-TETRAHYDROSPIRO[3,1-BENZOTHIAZINE-4,1-CYCLOHEXAN]-2-AMINE
1,4]DIAZEPANE-1-CARBOXYLIC ACIDTERT-BUTYL ESTERHYDROCHLORIDE
Ethanone, 1-phenyl-,2-(1-phenylethylidene)hydrazone
Acetamide,N-[4-(1,1-dimethylethyl)-2-nitrophenyl]-
alpha-D-Glucopyranoside, methyl 2,3,6-tri-O-methyl-
4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 6,7,8,9-tetrahydro-4-oxo-, ethyl ester
Ethyl 1-methyl-4-oxo-1,6,7,8-tetrahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxylate
Hexobarbital
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general > N01AF - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators
cyclobarbital
N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
(13aS)-5,6,7,8,13,13a-hexahydroisoquinolino[2,1-b]isoquinolin-7-ium
3,4a-Dihydroxy-4-methyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
(2S)-2-{[(2S)-2-azaniumyl-3-phenylpropanoyl]amino}propanoate
Decylsulfamate
An organic sulfamate oxoanion that is the conjugate base of decylsulfamic acid. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii.
(8-Methylnonyl)sulfamate
An organic sulfamate oxoanion that is the conjugate base of (8-methylnonyl)sulfamic acid. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii.
(3E)-dec-3-en-1-yl hydrogen sulfate
A sulfuric ester obtained by the formal condensation of (3E)-dec-3-en-1-ol with sulfuric acid.
(3Z)-dec-3-en-1-yl hydrogen sulfate
A sulfuric ester of (3Z)-dec-3-en-1-ol.
(2R/S)-2-[4-(2-Hydroxy-2-methylpropyl)-phenyl]-propionic acid methyl ester
2-Methyl-1-phenyl-2-(trimethylsilyloxy)propan-1-one
Benzoic acid, 2,4,6-trimethyl-, trimethylsilyl ester
1,3-Dihydro-3,3-dimethyl-1-trimethylsilyl-3-silaisobenzofuran
Acetamide, N-(3-(2-amino-5-methoxyphenyl)-3-oxopropyl)-
Heptylparaben
D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens
Phe-Ala zwitterion
A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Phe-Ala; major species at pH 7.3.
ST1936
ST1936 is a selective, nanomolar affinity 5-HT6 receptor agonist with Ki values of 13 nM, 168 nM and 245 nM for human 5-HT6, 5-HT7 and 5-HT2B receptors, respectively. ST1936 also shows moderate affinity (Ki of 300 nM) for human and rat α2 adrenergic receptor[1].
(2s)-2-amino-5-{[hydroxy(phenyl)methylidene]amino}pentanoic acid
[(2s)-2-[4-methyl-2-(2-methylpropoxy)phenyl]oxiran-2-yl]methanol
(4r,5ar,8r,8as)-8-hydroxy-4,7,7-trimethyl-3h,4h,5h,5ah,6h,8h,8ah-indeno[4,5-c]furan-1-one
(4s,5s)-4-hydroxy-2-methyl-5-(5-methylhex-4-enoyl)cyclohex-2-en-1-one
8-hydroxy-7,9b-dimethyl-3h,3ah,5ah,6h,7h,8h,9h,9ah-naphtho[1,2-c]furan-1-one
(3as,5ar,7r,8r,9as,9br)-8-hydroxy-7,9b-dimethyl-3h,3ah,5ah,6h,7h,8h,9h,9ah-naphtho[1,2-c]furan-1-one
2a,4-dihydroxy-3,6,7b-trimethyl-1h,2h,3h,4h,5h,6h-cyclobuta[e]inden-7-one
(5r,5as,7s,9as,9br)-5-hydroxy-7,9b-dimethyl-3h,5h,5ah,6h,7h,8h,9h,9ah-naphtho[1,2-c]furan-1-one
7-hydroxy-7,9b-dimethyl-3h,3ah,5ah,6h,8h,9h,9ah-naphtho[1,2-c]furan-1-one
7-(hydroxymethyl)-9b-methyl-3h,3ah,5ah,6h,7h,8h,9h,9ah-naphtho[1,2-c]furan-1-one
(5r,6r)-6-butyl-8,9-dimethyl-1-oxaspiro[4.4]non-8-ene-2,7-dione
4-[4-(3-hydroxypropyl)phenoxy]-2-methylbut-2-en-1-ol
(4as)-7-[(2s)-1,2-dihydroxypropan-2-yl]-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one
5-acetyl-4,4a-dimethyl-hexahydro-1ah-naphtho[4,4a-b]oxiren-6-one
(3ar,5ar,7s,9as,9br)-3a-hydroxy-7,9b-dimethyl-3h,5ah,6h,7h,8h,9h,9ah-naphtho[1,2-c]furan-1-one
(3as,5ar,7r,8s,9as,9br)-8-hydroxy-7,9b-dimethyl-3h,3ah,5ah,6h,7h,8h,9h,9ah-naphtho[1,2-c]furan-1-one
(2r)-2-[(1e,5r)-5-hydroxyhex-1-en-1-yl]-2-methyl-5-[(1e)-prop-1-en-1-yl]furan-3-one
1-acetyl-6-hydroxy-8,8a-dimethyl-1,3,4,6,7,8-hexahydronaphthalen-2-one
3(10)-Caren-4-ol, acetoacetic acid ester
{"Ingredient_id": "HBIN006892","Ingredient_name": "3(10)-Caren-4-ol, acetoacetic acid ester","Alias": "NA","Ingredient_formula": "C14H20O3","Ingredient_Smile": "CC(=O)CC(=O)OC1CC2C(C2(C)C)CC1=C","Ingredient_weight": "236.31 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40809","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "538448","DrugBank_id": "NA"}
ailanthoidiol
{"Ingredient_id": "HBIN014940","Ingredient_name": "ailanthoidiol","Alias": "NA","Ingredient_formula": "C14H20O3","Ingredient_Smile": "CC(CCOC1=CC=C(C=C1)C=CCO)CO","Ingredient_weight": "236.31 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "775","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5316925","DrugBank_id": "NA"}
β-n-butyl-d-tagatopyranoside
{"Ingredient_id": "HBIN018203","Ingredient_name": "\u03b2-n-butyl-d-tagatopyranoside","Alias": "NA","Ingredient_formula": "C10H20O6","Ingredient_Smile": "CCCCOC1(C(C(C(CO1)O)O)O)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14540","TCMID_id": "2806","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
