Exact Mass: 301.0964
Exact Mass Matches: 301.0964
Found 500 metabolites which its exact mass value is equals to given mass value 301.0964,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Haemanthamine
Haemanthamine is an alkaloid. Hemanthamine is a natural product found in Sternbergia clusiana, Cyrtanthus elatus, and other organisms with data available.
Oxymorphone
An opioid analgesic with actions and uses similar to those of morphine, apart from an absence of cough suppressant activity. It is used in the treatment of moderate to severe pain, including pain in obstetrics. It may also be used as an adjunct to anesthesia. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1092) D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AA - Natural opium alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
Fenoxycarb
CONFIDENCE standard compound; INTERNAL_ID 1161; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8907; ORIGINAL_PRECURSOR_SCAN_NO 8906 CONFIDENCE standard compound; INTERNAL_ID 1161; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8952; ORIGINAL_PRECURSOR_SCAN_NO 8951 CONFIDENCE standard compound; INTERNAL_ID 1161; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8971; ORIGINAL_PRECURSOR_SCAN_NO 8969 CONFIDENCE standard compound; INTERNAL_ID 1161; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8961; ORIGINAL_PRECURSOR_SCAN_NO 8960 CONFIDENCE standard compound; INTERNAL_ID 1161; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8995; ORIGINAL_PRECURSOR_SCAN_NO 8993 CONFIDENCE standard compound; INTERNAL_ID 1161; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8920; ORIGINAL_PRECURSOR_SCAN_NO 8919 C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor CONFIDENCE standard compound; EAWAG_UCHEM_ID 2940 CONFIDENCE standard compound; INTERNAL_ID 2588 CONFIDENCE standard compound; INTERNAL_ID 8460 D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
Flutriafol
D016573 - Agrochemicals D010575 - Pesticides CONFIDENCE standard compound; INTERNAL_ID 709; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8532; ORIGINAL_PRECURSOR_SCAN_NO 8531 CONFIDENCE standard compound; INTERNAL_ID 709; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4219; ORIGINAL_PRECURSOR_SCAN_NO 4218 CONFIDENCE standard compound; INTERNAL_ID 709; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4261; ORIGINAL_PRECURSOR_SCAN_NO 4256 CONFIDENCE standard compound; INTERNAL_ID 709; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8445; ORIGINAL_PRECURSOR_SCAN_NO 8442 CONFIDENCE standard compound; INTERNAL_ID 709; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4231; ORIGINAL_PRECURSOR_SCAN_NO 4226 CONFIDENCE standard compound; INTERNAL_ID 709; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8537; ORIGINAL_PRECURSOR_SCAN_NO 8535 CONFIDENCE standard compound; INTERNAL_ID 709; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8471; ORIGINAL_PRECURSOR_SCAN_NO 8469 CONFIDENCE standard compound; INTERNAL_ID 709; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8524; ORIGINAL_PRECURSOR_SCAN_NO 8522 CONFIDENCE standard compound; INTERNAL_ID 709; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8497; ORIGINAL_PRECURSOR_SCAN_NO 8495 CONFIDENCE standard compound; INTERNAL_ID 709; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4247; ORIGINAL_PRECURSOR_SCAN_NO 4243 CONFIDENCE standard compound; INTERNAL_ID 709; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4238; ORIGINAL_PRECURSOR_SCAN_NO 4235 CONFIDENCE standard compound; INTERNAL_ID 709; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4246; ORIGINAL_PRECURSOR_SCAN_NO 4244 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3710
Furalaxyl
CONFIDENCE standard compound; INTERNAL_ID 1281; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8846; ORIGINAL_PRECURSOR_SCAN_NO 8845 CONFIDENCE standard compound; INTERNAL_ID 1281; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8961; ORIGINAL_PRECURSOR_SCAN_NO 8960 CONFIDENCE standard compound; INTERNAL_ID 1281; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8881; ORIGINAL_PRECURSOR_SCAN_NO 8877 CONFIDENCE standard compound; INTERNAL_ID 1281; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8856; ORIGINAL_PRECURSOR_SCAN_NO 8854 CONFIDENCE standard compound; INTERNAL_ID 1281; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8879; ORIGINAL_PRECURSOR_SCAN_NO 8875 CONFIDENCE standard compound; INTERNAL_ID 1281; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8851; ORIGINAL_PRECURSOR_SCAN_NO 8850 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3113
N-Amidino-scyllo-inosamine 4-phosphate
4-Nitrophenyl β-D-galactopyranoside
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D000345 - Affinity Labels
Genomorphine
Genomorphine is an alkaloid from Papaver somniferum (opium poppy
Noroxycodone
Noroxycodone belongs to the family of Morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic. D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
Citpressine I
Citpressine I is found in citrus. Citpressine I is an alkaloid from the root of bark of Citrus depressa (Shekwasha mandarin
Citrusinine I
Alkaloid from the root bark of Citrus sinensis variety brasiliensis (navel orange) and Citrus grandis (pummelo). Citrusinine I is found in sweet orange and citrus. Citrusinine I is found in citrus. Citrusinine I is an alkaloid from the root bark of Citrus sinensis var. brasiliensis (navel orange) and Citrus grandis (pummelo
gamma-Glutamyl-beta-(isoxazolin-5-on-2-yl)alanine
gamma-Glutamyl-beta-(isoxazolin-5-on-2-yl)alanine is found in pulses. gamma-Glutamyl-beta-(isoxazolin-5-on-2-yl)alanine is a constituent of Lens culinaris (lentil). Constituent of Lens culinaris (lentil). gamma-Glutamyl-beta-(isoxazolin-5-on-2-yl)alanine is found in pulses.
Carboxybupranolol, 4-chloro-3-[3-(1,1-dimethylethylamino)-2-hydroxy-propyloxy]benzoic acid
Carboxybupranolol, 4-chloro-3-[3-(1,1-dimethylethylamino)-2-hydroxy-propyloxy]benzoic acid is a metabolite of bupranolol. Bupranolol is a non-selective beta blocker without intrinsic sympathomimetic activity (ISA), but with strong membrane stabilizing activity. Its potency is similar to propranolol. (Wikipedia)
1-Tert-butyl-3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
4-Nitrophenyl beta-D-glucopyranoside
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D000345 - Affinity Labels
Amotosalen
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D003879 - Dermatologic Agents
Augustamine
Dehydroevodiamine
Bisulepine
1H-1,2,4-Triazole-1-ethanol, alpha,alpha-bis(4-fluorophenyl)-
2-(3,4-Dihydro-2,2-dimethyl-6-nitro-2H-1,4-benzoxazin-4-yl)pyridine N-oxide
2,5,7-trihydroxy-4'-methoxyisoflavanone
2,5,7-trihydroxy-4-methoxyisoflavanone is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2,5,7-trihydroxy-4-methoxyisoflavanone can be found in a number of food items such as rapini, medlar, endive, and sea-buckthornberry, which makes 2,5,7-trihydroxy-4-methoxyisoflavanone a potential biomarker for the consumption of these food products.
Gum arabic
Stabiliser for soft drink and flavour emulsions; encapsulating agent to protect lipid or liposoluble materials that are sensitive to decomposition; texturising or filming agent in confectionary; gelling agent or carrier in reduced calorie applications; clarification and stabilising aid in wines. Gum arabic, also known as gum acacia, chaar gund or char goond, is a natural gum made of hardened sap taken from two species of the acacia tree; Acacia senegal and Acacia seyal. The gum is harvested commercially from wild trees throughout the Sahel from Senegal and Sudan to Somalia, although it has been historically cultivated in Arabia and West Asia. Gum arabic is a complex mixture of polysaccharides and glycoproteins that is used primarily in the food industry as a stabilizer. It is edible and has E number E414. Gum arabic is a key ingredient in traditional lithography and is used in printing, paint production, glue, cosmetics and various industrial applications, including viscosity control in inks and in textile industries, although cheaper materials compete with it for many of these roles.; It is an important ingredient in shoe polish, and can be used in making homemade incense cones. It is also used as a lickable adhesive, for example on postage stamps and cigarette papers. Printers employ it to stop oxidation of aluminium printing plates in the interval between processing of the plate and its use on a printing press[citation needed]. Stabiliser for soft drink and flavour emulsions; encapsulating agent to protect lipid or liposoluble materials that are sensitive to decomposition; texturising or filming agent in confectionary; gelling agent or carrier in reduced calorie applications; clarification and stabilising aid in wines
dimethachlor ESA
An organosulfonic acid that is 2-oxoethanesulfonic acid substituted by a (2,6-dimethylphenyl)(2-methoxyethyl)amino group at position 2. It is a metabolite of the herbicide dimethachlor. CONFIDENCE standard compound; INTERNAL_ID 2555 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2535 EAWAG_UCHEM_ID 2535; CONFIDENCE standard compound
N-(2H-1,4-benzothiazin-3-yl)-4-fluorobenzohydrazide
N1-(2,4-Dimethylphenyl)-2-cyano-3-oxo-3-tetrahydro-1H-pyrrol-1-ylpropanethioamide
{3-[(E)-2-(1,3-Benzodioxol-5-yl)vinyl]-2-oxiranyl}(1-piperidinyl)methanone
5,8,9-trimethoxy-2,2-dimethyl-2h-pyrano[2,3-b]quinoline
(-)-Amarbellisine|(1S,3aS,12bS,12cS)-1-ol-2-methoxy-3a,4,5,7,12b,12c-hexahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine|amarbellisine
N-(2-(3,4-dimethoxyphenyl)-2-hydroxyethyl)benzamide
2-ethyl-3-methylmaleimide N-beta-D-glucopyranoside|N-(beta-D-glucopyranosyl)-2-ethyl-3-methylmaleimide
2-acetoxy-2-((R)-4-methoxy-2,3-dihydro-furo[2,3-b]quinolin-2-yl)-propane|O-acetyl-platydesmine|Platydesmin-acetat
3,4-Dihydro-1-methoxy-5-(dimethylamino)-8-(methoxythio)-1H-2-benzothiopyran-6-ol
3-acetoxy-5-methoxy-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]quinoline|O-Acetyl-geibalansin|O-acetyl-geibalansine|O-Acetylgeibalansine
N-<8-(4-methoxyphenylethyl)>-2-hydroxy-6-methoxybenzoylamide|N-[8-(4-methoxyphenylethyl)]-2-hydroxy-6-methoxybenzoylamide
(3aS)-1t-hydroxy-(3arC4,14bc)-1,5,6,8,9,14b-hexahydro-4H-cyclopenta[b][1,3]dioxolo[4,5:4,5]benzo[1,2-d]pyrrolo[1,2-a]azepin-2-one|Demethylcephalotaxin|Demethylcephalotaxine-(-)-form|O2-demethyl-cephalotaxine
7-(3-hydroxy-3-methyl-butyl)-4-methoxy-furo[2,3-b]quinolin-8-ol|Folifinin|Folifinine
5,6-Dihydro-N-[3-(7-methoxy-1,3-benzodioxol-5-yl)-2-propenyl]-2(1H)--pyridinone|N-(3-Methoxy-4,5-methylenedioxycinnamoyl)-Delta3-pyridin-2-one
4-Hydroxypyridyl-3-oic acid 4-O-glucopyranoside|4-hydroxypyridyn-3-oic acid 4-O-glucopyranoside
(5,8-dihydro-7-hydroxy-6-methyl-5,8-dioxo-1-isoquinolinyl)methyl (2Z)-2-methyl-2-butenoate|demethylrenierone|O-Demethylrenierone
Dimethachlor-ESA
CONFIDENCE standard compound; INTERNAL_ID 2043
peonidin
Acquisition and generation of the data is financially supported in part by CREST/JST.
1,5-dihydroxy-2,3-dimethoxy-10-methylacridin-9-one
C17H19NO4_{3-[(E)-2-(1,3-Benzodioxol-5-yl)vinyl]-2-oxiranyl}(1-piperidinyl)methanone
FENOXYCARB
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
oxymorphone
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AA - Natural opium alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
p-[N-Propyl-N-(3-hydroxypropyl)sulfamoyl]benzoic acid
p-[N-Propyl-N-(2-hydroxypropyl)sulfamoyl]benzoic acid
g-Glutamyl-b-(isoxazolin-5-on-2-yl)alanine
Noroxycodone
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
3-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]benzoic acid
7-chloro-5-(2-fluorophenyl)-N-methyl-3H-1,4-benzodiazepin-2-amine
2-O-(2-Methoxyethyl)cytidine
2'-O-(2-Methoxyethyl)-cytidine is a synthetic oligonucleotide conversed from uridine. 2'-O-(2-Methoxyethyl)-uridine has the potential for chemotherapeutic agents development[1].
4-(2,3-DIHYDRO-BENZO[1,4]DIOXINE-6-SULFONYLAMINO)-BUTYRIC ACID
1,1,1,3,3,3-HEXAFLUORO-2-(4-(PROPYLAMINO)PHENYL)PROPAN-2-OL
4-methyl-2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
4-[(1,3-dioxybutyl)amino]-5-methoxy-2-methyl-benzenesulfonic acid
2-METHYL-4-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)THIAZOLE
3-(thiophen-2-yl)-5-p-tolyl-4,5-dihydro-1h-pyrazole-1-carbothioamide
METHYL 4-(DIMETHYLCARBAMOYL)-2-FLUORO-[1,1-BIPHENYL]-3-CARBOXYLATE
METHYL 3-(ETHYLCARBAMOYL)-2-FLUORO-[1,1-BIPHENYL]-3-CARBOXYLATE
2-[[(3,5-DIMETHOXYPHENYL)AMINO]CARBONYL]-BENZOIC ACID
ethyl 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate
1-(4-METHYL PIPERAZIN-1-YL)-2-(QUINOLIN-8-YLTHIO)ETHANONE
4-[2-(6-methoxy-2-naphthyl)-1-thioxoethyl]morpholine
2-{[(4-METHOXYPHENYL)SULFONYL]AMINO}-4-METHYLPENTANOIC ACID
tert-butoxycarbonylamino-naphthalen-1-yl-acetic acid
ethyl N-[3-(dimethylcarbamoyl)pyridin-2-yl]sulfonylcarbamate
(2R,3S,4S,5R,6S)-2-(HYDROXYMETHYL)-6-(3-NITROPHENOXY)TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL
2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
(Z)-2-(2-Aminothiazol-4-yl)-2-(tert-butoxycarbonylmethoxyimino)acetic acid
Ethyl 2-phenyl-4-(2,2,2-trifluoroethyl)-4,5-dihydrooxazole-4-carboxylate
4-Nitrophenyl α-D-galactopyranoside
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D000345 - Affinity Labels
2-(TERT-BUTOXYCARBONYLAMINO)-3-(2,6-DIFLUOROPHENYL)PROPANOIC ACID
1H-Pyrrolo[2,3-b]pyridine-3-ethanamine, 1-(phenylsulfonyl)-
Potassium (R)-[(3-ethoxy-1-methyl-3-oxoprop-1-enyl)amino]phenylacetate
ethyl N-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)carbamate
3-(2-METHOXYCARBONYL-VINYL)-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
7-(tert-Butoxycarbonyl)-3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid
2-(2-Aminothiazole-4-yl)-2-[2-(tert-butoxycarbonyl)-methoxyimino]acetic acid
3-AMINO-3-(4-BENZYLOXY-3-METHOXY-PHENYL)-PROPIONIC ACID
4-Chloro-5-[(1-methyl-4-piperidinyl)oxy]-3-quinolinecarbonitrile
ETHYL 1-(4-TRIFLUOROMETHYLPHENYL)PIPERIDINE-4-CARBOXYLATE
4(1H)-Quinolinone,2,3-dihydro-1-[(4-methylphenyl)sulfonyl]-
7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinazolin-4-one
4-METHOXY-3-(MORPHOLIN-4-YLSULPHONYL)BENZENEBORONIC ACID
2-TERT-BUTOXYCARBONYLAMINO-3-(2,4-DIFLUORO-PHENYL)-PROPIONIC ACID
tert-butoxycarbonylamino-naphthalen-2-yl-acetic acid
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-cyanoacetamide
1-(4-Chlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
Methyl 5-amino-2-(2-(methoxycarbonyl)phenoxy)benzoate
DIMETHYL 5-(N-METHYLMETHYLSULFONAMIDO)ISOPHTHALATE
N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole-1-sulfonamide
Ethyl 1-benzyl-4-(trifluoromethyl)pyrrolidine-3-carboxylate
4-(1-AMINO-ETHYL)-IMIDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Pramipexole dihydrochloride hydrate
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist D020011 - Protective Agents > D000975 - Antioxidants Pramipexole dihydrochloride hydrate is a selective and blood-brain barrier (BBB) penetrant dopamine D2-type receptor agonist, with Kis of 2.2 nM, 3.9 nM, 0.5 nM and 1.3 nM for D2-type receptor, D2, D3 and D4 receptors, respectively. Pramipexole dihydrochloride hydrate can be used for the research of Parkinson's disease (PD) and restless legs syndrome (RLS)[1][2][3].
(2S-cis)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
5-Chloro-2-((R)-5-methyl-[1,4]diazepan-1-yl)benzooxazole hydrochloride
[1-(3-Methoxy-4-nitro-phenyl)-piperidin-4-yl]-Methyl-aMine hydrochloride
(4-Methoxy-3-(Morpholinosulfonyl)phenyl)boronic acid
TERT-BUTYL 4-(5-(CHLOROMETHYL)-1,3,4-OXADIAZOL-2-YL)PIPERIDINE-1-CARBOXYLATE
benzyl 4-oxo-2-(trifluoromethyl)piperidine-1-carboxylate
1-(3-PYRIDINYL)-SPIRO[1-AZABICYCLO[2.2.1]HEPTANE-2,3-PYRROLIDINE]DIHYDROCHLORIDE
2-BENZYL 4-ETHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE
Milrinone Lactate
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058987 - Phosphodiesterase 3 Inhibitors C78274 - Agent Affecting Cardiovascular System > C78322 - Cardiotonic Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor D020011 - Protective Agents > D002316 - Cardiotonic Agents
TERT-BUTYL 5-(3-METHOXY-3-OXOPROP-1-EN-1-YL)-1H-INDOLE-1-CARBOXYLATE
2-(6-Methoxy-3-oxocyclohexa-1,4-dienylcarbamoyl)phenyl acetate compound with MethoxyMethane (1:1)
6-(4-METHOXY-PHENYL)-3-PHENYL-PYRAZOLO[1,5-A]PYRIMIDINE
3-THIOPHENECARBOXYLIC ACID, 2-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-4-(HYDROXYMETHYL)-, ETHYL ESTER
Glycyl-prolyl-glutamic acid
Gly-Pro-Glu is a neuroactive peptide with a potent action on acetylcholine release. Gly-Pro-Glu is the N-terminal tripeptide of insulin-like growth factor-I. Gly-Pro-Glu inhibits glutamate binds to N-methyl-D-aspartate (NMDA) receptor with an IC50 value of 14.7 μM. Gly-Pro-Glu can be used for the research of neuroprotection [1][2].
4-[2-(Hydroxymethyl)pyrimidin-4-YL]-N,N-dimethylpiperazine-1-sulfonamide
(S,E)-5-Phenyl-1-(phenylsulfonyl)pent-1-en-3-amine
(R)-N6-propyl-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine dihydrochloride hydrate
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist D020011 - Protective Agents > D000975 - Antioxidants
(R)-1-[(3,4-Dihydroxyphenyl)methyl]-1,2,3,4-tetrahydro-2-methylisoquinoline-6,7-diol
2-(3,4-Dihydro-2,2-dimethyl-6-nitro-2H-1,4-benzoxazin-4-yl)pyridine N-oxide
D007476 - Ionophores > D061216 - Potassium Ionophores D049990 - Membrane Transport Modulators
(E)-4-[4-[bis(2-chloroethyl)amino]phenyl]but-3-enoic acid
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds
(E)-1-(5-chloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
(4-Chlorophenyl)-[4-(2-pyridinyl)-1-piperazinyl]methanone
methyl 5-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
N-(1,3-dioxo-4-isoindolyl)-2-(2,5-dioxo-1-pyrrolidinyl)acetamide
3-[[Cyclopropyl(oxo)methyl]amino]-5-phenyl-2-thiophenecarboxylic acid methyl ester
2-[(4-Fluorophenoxy)methyl]-5-(1-piperidinyl)-4-oxazolecarbonitrile
5-Furan-2-yl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
1-[5-(2-Amino-5-methyl-4-thiazolyl)-2,3-dihydroindol-1-yl]-1-butanone
(4Z)-2-[(E)-2-phenylethenyl]-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
(E)-N-(2-(2-(furan-2-ylmethylene)hydrazinyl)-2-oxoethyl)-2-phenoxyacetamide
6-[5-(2-Fluorophenyl)-3-pyrazolidinylidene]-4-nitro-1-cyclohexa-2,4-dienone
3-[5-(2-Nitropent-1-En-1-Yl)furan-2-Yl]benzoic Acid
1,5-Dihydroxy-2,3-dimethoxy-10-methyl-9-acridone
A natural product found in Citropsis articulata.
2,5,7-trihydroxy-4'-methoxyisoflavanone
2,5,7-trihydroxy-4-methoxyisoflavanone is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2,5,7-trihydroxy-4-methoxyisoflavanone can be found in a number of food items such as rapini, medlar, endive, and sea-buckthornberry, which makes 2,5,7-trihydroxy-4-methoxyisoflavanone a potential biomarker for the consumption of these food products.
Hesperetin(1-)
A flavonoid oxoanion that is the conjugate base of hesperetin arising from selective deprtotonation of the 7-hydroxy group.
N-acetyl-L-aspartyl-L-glutamate
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D009676 - Noxae > D009498 - Neurotoxins D018926 - Anti-Allergic Agents D020011 - Protective Agents
(2R,3S)-2,7-dihydroxy-3-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-5-olate
4-(3-Acetyl-5-hydroxy-4-oxo-1,4-dihydronapthalen-2-yl)-3-oxobutanoate
(1S)-1-[(3,4-dihydroxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline-6,7-diol
(R)-1-(3,4-Dihydroxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline-7-ol
(2S)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-5-olate
(1R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
(1R)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
(4-Hydroxy-6-oxo-1,6-dihydropyridin-2-yl)(phenyl)methyl 3-methylbutanoate
1-Tert-butyl-3-[(4-methylphenyl)sulfonylamino]thiourea
4-(2-furanylmethyl)-3-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione
1-Carboxy-7-(dimethylamino)-3,4-dihydroxyphenoxazin-5-ium
1-(3-Methoxy-5-nitrophenyl)-3-(4-methylphenyl)urea
3-(1,3-dimethyl-4-pyrazolyl)-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione
N-(2-methoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-[[[4-(Methylthio)anilino]-oxomethyl]amino]benzamide
2-[[1-Oxo-2-(phenylthio)ethyl]amino]benzoic acid methyl ester
2-[[(3-methylphenyl)-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
[4-[Oxo(thiophen-2-yl)methyl]-1-piperazinyl]-(3-pyridinyl)methanone
3,3-Dimethyl-1-[4-(trifluoromethoxy)phenyl]piperidine-2,6-dione
[(Z)-[amino(pyridin-4-yl)methylidene]amino] 2,6-dimethoxybenzoate
1,4-Dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyl-2-benzofuranyl)methanone
Ala-Asp-Pro
A tripeptide composed of L-alanine, L-aspartic acid, and L-proline units joined in sequernce by peptide linkages.
2-chloro-N-(2,6-dimethylphenyl)-3-oxo-3-phenylpropanamide
7-hydroxy-6-(4-morpholinylmethyl)-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-4-one
4-[[(2-Methyl-3-furanyl)-oxomethyl]amino]benzoic acid butyl ester
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-3-isoxazolecarboxamide
1-(3-Methyl-1-piperidinyl)-2-(2-quinoxalinylthio)ethanone
N-(3-methoxyphenyl)-3-[(4-methylphenyl)thio]propanamide
2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide
4-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-fluorobenzamide
Acetic acid [4-[(4-hydroxyanilino)-oxomethyl]-2-methoxyphenyl] ester
1-[2-[2-[3-(Trifluoromethyl)phenoxy]ethoxy]ethyl]-1,2,4-triazole
2-Pyrazinecarboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester
2,5-Dioxo-1-phenyl-1,4-dihydropyrrolo[1,2-a]quinazoline-3-carbonitrile
6-(4-methoxyphenyl)-N,3-dimethyl-2-imidazo[2,1-b]thiazolecarboxamide
3-Ethoxy-6-[4-(2-methyl-4-thiazolyl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone
N-(3-phenyl-4-(phenylethynyl)-1H-pyrazol-5-yl)acetamide
4-(2,4-dimethyl-5-thiazolyl)-N-(phenylmethyl)-2-thiazolamine
N-(1,3-benzodioxol-5-yl)-5-tert-butyl-2-methyl-3-furancarboxamide
1-(5-methoxy-1H-indol-3-yl)-2-[(4-methyl-2-thiazolyl)amino]ethanone
3-(4,5-dimethyl-3-thiophenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
3-(3-chlorophenyl)azo-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
1-(2,1,3-Benzoxadiazol-4-yloxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanone
ethyl 3-[4-(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-3-yl]propanoate
1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
(2Z)-2-[(4-methylquinolin-2-yl)hydrazinylidene]pentanedioic acid
1-[(4-Chlorophenyl)methyl]-5-methyl-3-(oxidoamino)indol-2-ol
3-[3-(butylamino)-2-hydroxypropoxy]-4-chlorobenzoic acid
SPF-32629A
A carboxylic ester obtained by the formal condensation of the secondary hydroxy group of 4-hydroxy-6-[hydroxy(phenyl)methyl]pyridin-2(1H)-one with 3-methylbutanoic acid. It is isolated from the culture broth of Penicillium sp. SPF-32629 and acts as an inhibitor of the enzyme chymase (EC 3.4.21.39).
Ac-Asp-Glu(3-)
A peptide anion obtained by deprotonation of the three carboxy groups of N-acetyl-Asp-Glu; major species at pH 7.3.
2-hydroxy-3-(2-hydroxyethyl)-8-methoxy-10-methyl-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1,4,7,9(13),10-pentaene-6,12-dione
5-(dimethylamino)-1-methoxy-8-(methoxysulfanyl)-3,4-dihydro-1h-2-benzothiopyran-6-ol
2,12,15-triazapentacyclo[11.7.1.0³,⁸.0⁹,²¹.0¹⁴,¹⁹]henicosa-1,3(8),4,6,9(21),10,12,14(19)-octaene-18,20-dione
(1r,15r,18r,19r)-17-methoxy-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,16-tetraen-18-ol
(1s,13r,15r,18s)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-18-ol
8,9-dimethoxy-2,2,6-trimethylpyrano[3,2-c]quinolin-5-one
(2z,4e)-5-(6-methoxy-2h-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)penta-2,4-dien-1-one
5-hydroxy-6-(hydroxymethyl)-3-(1h-indol-3-ylmethylidene)-6-methoxy-1h-pyrazin-2-one
(1s,13r,15r,18r)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-18-ol
(1s,13r,15r,16s,18r)-15-methoxy-5,7,17-trioxa-12-azahexacyclo[10.6.2.0¹,¹³.0²,¹⁰.0⁴,⁸.0¹⁶,¹⁸]icosa-2,4(8),9-triene
7,8-dimethoxy-2,2,6-trimethylpyrano[3,2-c]quinolin-5-one
3-hydroxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),13,15(19)-trien-4-one
4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.0²,¹⁰.0³,⁷.0¹⁵,¹⁹]icosa-1(20),7,13,15(19)-tetraen-12-ol
12-hydroxy-3,11,21-triazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2,4,6,8,13,15,17,19-nonaen-10-one
5-hydroxy-4-methoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5,12-tetraen-8-one
2-{9-hydroxy-1-methyl-5,10-dioxo-1h,3h,4h-naphtho[2,3-c]pyran-3-yl}ethanimidic acid
2-[(1s,3r)-9-hydroxy-1-methyl-5,10-dioxo-1h,3h,4h-naphtho[2,3-c]pyran-3-yl]ethanimidic acid
{4-[(4ar,7r)-6,7-dihydroxy-5-methoxy-4a,7-dihydrochromen-2-ylidene]cyclohexa-2,5-dien-1-ylidene}(methyl)oxidanium
(1r,13s,17s)-9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,15-tetraen-17-ol
4-hydroxypyridyl-3-oicacid 4-o-glucopyrano-side
{"Ingredient_id": "HBIN010571","Ingredient_name": "4-hydroxypyridyl-3-oicacid 4-o-glucopyrano-side","Alias": "NA","Ingredient_formula": "C12H15NO8","Ingredient_Smile": "C1=CN=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)C(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10669","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
9-demethylhomolycorine
{"Ingredient_id": "HBIN014082","Ingredient_name": "9-demethylhomolycorine","Alias": "NA","Ingredient_formula": "C17H19NO4","Ingredient_Smile": "CN1CCC2=CCC3C(C21)C4=CC(=C(C=C4C(=O)O3)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14982","TCMID_id": "5080","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(?)-amarbellisine
{"Ingredient_id": "HBIN015812","Ingredient_name": "(?)-amarbellisine","Alias": "NA","Ingredient_formula": "C17H19NO4","Ingredient_Smile": "COC1=CC2CCN3C2C(C1O)C4=CC5=C(C=C4C3)OCO5","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1016","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(-)-augustine
{"Ingredient_id": "HBIN017349","Ingredient_name": "(-)-augustine","Alias": "NA","Ingredient_formula": "C17H19NO4","Ingredient_Smile": "COC1CC2C3(CCN2CC4=CC5=C(C=C43)OCO5)C6C1O6","Ingredient_weight": "301.34 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "15767","PubChem_id": "157561","DrugBank_id": "NA"}
betain
{"Ingredient_id": "HBIN018162","Ingredient_name": "betain","Alias": "NA","Ingredient_formula": "C16H15NO3S","Ingredient_Smile": "C1=CC=C2C(=C1)C=C3C=CC=CC3=[N+]2CCCS(=O)(=O)[O-]","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "23390","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
